N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide

C29H32N2O4 — CID 42451722

IUPACN-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
SMILESCOc1cccc(CNC(=O)CC[C@@]2(Cc3ccc(-c4ccccc4)cc3)CCC(=O)N2)c1OC
InChIInChI=1S/C29H32N2O4/c1-34-25-10-6-9-24(28(25)35-2)20-30-26(32)15-17-29(18-16-27(33)31-29)19-21-11-13-23(14-12-21)22-7-4-3-5-8-22/h3-14H,15-20H2,1-2H3,(H,30,32)(H,31,33)/t29-/m0/s1
InChIKeyHVAFLTPPGOQPNQ-LJAQVGFWSA-N
MW472.59 g/mol
LogP4.66
Rot. Bonds10

About N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide

N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide (PubChem CID 42451722) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
PubChem CID42451722
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
SMILESCOc1cccc(CNC(=O)CC[C@@]2(Cc3ccc(-c4ccccc4)cc3)CCC(=O)N2)c1OC
InChIInChI=1S/C29H32N2O4/c1-34-25-10-6-9-24(28(25)35-2)20-30-26(32)15-17-29(18-16-27(33)31-29)19-21-11-13-23(14-12-21)22-7-4-3-5-8-22/h3-14H,15-20H2,1-2H3,(H,30,32)(H,31,33)/t29-/m0/s1
InChIKeyHVAFLTPPGOQPNQ-LJAQVGFWSA-N
XLogP4.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide 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

N-[2-(2-fluorophenyl)ethyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 26403121
3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 45191753
N-[2-(2-methoxyphenyl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45183240
3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 42212057
3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propanamide
CID 42248412
3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 42368132
N-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45176527
N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 26335072
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]propanamide
CID 26277595
N-(2,3-dihydro-1H-inden-2-yl)-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42501402
3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide
CID 45169176
N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45179274

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide (CID 42451722) is N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide is COc1cccc(CNC(=O)CC[C@@]2(Cc3ccc(-c4ccccc4)cc3)CCC(=O)N2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide?
The InChIKey is HVAFLTPPGOQPNQ-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-34-25-10-6-9-24(28(25)35-2)20-30-26(32)15-17-29(18-16-27(33)31-29)19-21-11-13-23(14-12-21)22-7-4-3-5-8-22/h3-14H,15-20H2,1-2H3,(H,30,32)(H,31,33)/t29-/m0/s1.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide?
N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide has a molecular weight of 472.59 g/mol, XLogP of 4.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide is sourced from PubChem (CID 42451722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).