N-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide

C27H28N2O2 — CID 166541804

IUPACN-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
SMILESCc1ccccc1CN1C(=O)CCC1CC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O2/c1-20-10-8-9-15-23(20)19-29-24(16-17-26(29)31)18-25(30)28-27(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,24,27H,16-19H2,1H3,(H,28,30)
InChIKeyBEDSCMLSQQLCHZ-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.78
Rot. Bonds7

About N-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide

N-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide (PubChem CID 166541804) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
PubChem CID166541804
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC NameN-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
SMILESCc1ccccc1CN1C(=O)CCC1CC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O2/c1-20-10-8-9-15-23(20)19-29-24(16-17-26(29)31)18-25(30)28-27(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,24,27H,16-19H2,1H3,(H,28,30)
InChIKeyBEDSCMLSQQLCHZ-UHFFFAOYSA-N
XLogP4.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-[[2-[(2S)-1-[(2-ethylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-methylhexanoic acid
CID 175838353
(3R,4R)-3-[[2-[(2R)-1-[(2-ethylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]-4-methylhexanoic acid
CID 166541532
(2S)-2-[[2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]-3-methylbutanoic acid
CID 171519952
1-[(2-methylphenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812158
(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 42235949
2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid
CID 175838472
(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898
2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide
CID 166541743
5-(6-benzoyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 123561568
N-benzhydryl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964153
methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate
CID 175838128
(3S)-3-[[2-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-methylhexanoic acid
CID 166541851

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide?
The IUPAC name of N-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide (CID 166541804) is N-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide?
The canonical SMILES for N-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide is Cc1ccccc1CN1C(=O)CCC1CC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide?
The InChIKey is BEDSCMLSQQLCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-20-10-8-9-15-23(20)19-29-24(16-17-26(29)31)18-25(30)28-27(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,24,27H,16-19H2,1H3,(H,28,30).
What are the key properties of N-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide?
N-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide has a molecular weight of 412.53 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide is sourced from PubChem (CID 166541804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).