N-[(diphenylmethyl)carbamoyl]propanamide(CAS No. 55513-02-5)

Details:

【Name】
N-[(diphenylmethyl)carbamoyl]propanamide
【Iupac name】
N-(benzhydrylcarbamoyl)propanamide
【CAS Registry number】
55513-02-5
【Synonyms】
n-[(diphenylmethyl)carbamoyl]propanamide
55513-02-5
NSC17595
AC1Q5KTU
AC1L5F0X
Ambcb5562801
MolPort-003-182-048
N-(benzhydrylcarbamoyl)propanamide
AR-1K3331
NSC-17595
ZINC01758855
AKOS003653237
【Molecular Formula】
C17H18N2O2 (Products with the same molecular formula)
【Molecular Weight】
282.337
【Inchi】
InChI=1/C17H18N2O2/c1-2-15(20)18-17(21)19-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,16H,2H2,1H3,(H2,18,19,20,21)
【Canonical SMILES】
CCC(=O)NC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2
Chemical and Physical Properties
【Density】
1.14g/cm3
【Refractive Index】
1.571
【Computed Properties】
Molecular Weight:282.33702 [g/mol]
Molecular Formula:C17H18N2O2
XLogP3-AA:3.4
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:4
Tautomer Count:5
Exact Mass:282.136828
MonoIsotopic Mass:282.136828
Topological Polar Surface Area:58.2
Heavy Atom Count:21
Formal Charge:0
Complexity:327
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:30