N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide

C31H30N2O2 — CID 93333842

IUPACN-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)c2cccc(CC(=O)N[C@@H](C)c3ccccc3)c2)cc1
InChIInChI=1S/C31H30N2O2/c1-23-16-18-28(19-17-23)31(35)33(22-25-10-5-3-6-11-25)29-15-9-12-26(20-29)21-30(34)32-24(2)27-13-7-4-8-14-27/h3-20,24H,21-22H2,1-2H3,(H,32,34)/t24-/m0/s1
InChIKeyBAWIZYBVLZMCMN-DEOSSOPVSA-N
MW462.59 g/mol
LogP6.26
Rot. Bonds8

About N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide

N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide (PubChem CID 93333842) has the molecular formula C31H30N2O2 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide
PubChem CID93333842
Molecular FormulaC31H30N2O2
Molecular Weight462.59 g/mol
Exact Mass462.23
IUPAC NameN-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)c2cccc(CC(=O)N[C@@H](C)c3ccccc3)c2)cc1
InChIInChI=1S/C31H30N2O2/c1-23-16-18-28(19-17-23)31(35)33(22-25-10-5-3-6-11-25)29-15-9-12-26(20-29)21-30(34)32-24(2)27-13-7-4-8-14-27/h3-20,24H,21-22H2,1-2H3,(H,32,34)/t24-/m0/s1
InChIKeyBAWIZYBVLZMCMN-DEOSSOPVSA-N
XLogP6.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide
CID 42859248
N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987150
2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide
CID 46056741
N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide
CID 92987128
N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987108
3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987122
N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide
CID 46052536
(E)-N-[(4-fluorophenyl)methyl]-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 46056872
N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide
CID 108945995
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46052688
N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide
CID 19165535
N-benzyl-N-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46056426

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide?
The IUPAC name of N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide (CID 93333842) is N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide is Cc1ccc(C(=O)N(Cc2ccccc2)c2cccc(CC(=O)N[C@@H](C)c3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide?
The InChIKey is BAWIZYBVLZMCMN-DEOSSOPVSA-N. The full InChI is InChI=1S/C31H30N2O2/c1-23-16-18-28(19-17-23)31(35)33(22-25-10-5-3-6-11-25)29-15-9-12-26(20-29)21-30(34)32-24(2)27-13-7-4-8-14-27/h3-20,24H,21-22H2,1-2H3,(H,32,34)/t24-/m0/s1.
What are the key properties of N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide?
N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide has a molecular weight of 462.59 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 93333842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).