(3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide

C27H28N2O3 — CID 92601435

IUPAC(3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1CC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C(N)=O)C1
InChIInChI=1S/C27H28N2O3/c1-32-24-14-8-6-11-21(24)17-25(30)29-16-15-27(19-29,26(28)31)18-22-12-5-7-13-23(22)20-9-3-2-4-10-20/h2-14H,15-19H2,1H3,(H2,28,31)/t27-/m0/s1
InChIKeyDUKWXDMVPZXAPC-MHZLTWQESA-N
MW428.53 g/mol
LogP3.85
Rot. Bonds7

About (3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92601435) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is (3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID92601435
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name(3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1CC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C(N)=O)C1
InChIInChI=1S/C27H28N2O3/c1-32-24-14-8-6-11-21(24)17-25(30)29-16-15-27(19-29,26(28)31)18-22-12-5-7-13-23(22)20-9-3-2-4-10-20/h2-14H,15-19H2,1H3,(H2,28,31)/t27-/m0/s1
InChIKeyDUKWXDMVPZXAPC-MHZLTWQESA-N
XLogP3.85
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232048
1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231146
(3S)-1-[2-(4-ethoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92593612
(3S)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-[2-(4-methylphenyl)acetyl]pyrrolidine-3-carboxamide
CID 92557558
(3R)-1-[2-(4-methoxyphenyl)acetyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92595440
1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110230966
(3R)-1-(2-phenylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92574350
(3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide
CID 92575779
1-(3,3-dimethylbutanoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110230972
(3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92601128
(3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92561151
(3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92575331

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92601435) is (3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide is COc1ccccc1CC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C(N)=O)C1.
What is the InChIKey of (3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is DUKWXDMVPZXAPC-MHZLTWQESA-N. The full InChI is InChI=1S/C27H28N2O3/c1-32-24-14-8-6-11-21(24)17-25(30)29-16-15-27(19-29,26(28)31)18-22-12-5-7-13-23(22)20-9-3-2-4-10-20/h2-14H,15-19H2,1H3,(H2,28,31)/t27-/m0/s1.
What are the key properties of (3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92601435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).