1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide

C27H28N2O3 — CID 110230966

IUPAC1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(Cc2ccccc2-c2cccc(C)c2)(C(N)=O)C1
InChIInChI=1S/C27H28N2O3/c1-19-8-7-10-20(16-19)22-11-4-3-9-21(22)17-27(26(28)31)14-15-29(18-27)25(30)23-12-5-6-13-24(23)32-2/h3-13,16H,14-15,17-18H2,1-2H3,(H2,28,31)
InChIKeyAOGTZLAIHDVCEG-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.23
Rot. Bonds6

About 1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide

1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 110230966) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID110230966
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(Cc2ccccc2-c2cccc(C)c2)(C(N)=O)C1
InChIInChI=1S/C27H28N2O3/c1-19-8-7-10-20(16-19)22-11-4-3-9-21(22)17-27(26(28)31)14-15-29(18-27)25(30)23-12-5-6-13-24(23)32-2/h3-13,16H,14-15,17-18H2,1-2H3,(H2,28,31)
InChIKeyAOGTZLAIHDVCEG-UHFFFAOYSA-N
XLogP4.23
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.23
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
(3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92561151
(3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92601128
1-(3,3-dimethylbutanoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110230972
(3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92601435
(3S)-1-(2-methoxybenzoyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92601068
(3S)-1-benzoyl-N-methyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92561153
(3S)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-[2-(4-methylphenyl)acetyl]pyrrolidine-3-carboxamide
CID 92557558
1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982891
N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 110230945
3-[[2-(3-methylphenyl)phenyl]methyl]-N-propyl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
CID 110232771
1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 56918920

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 110230966) is 1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide is COc1ccccc1C(=O)N1CCC(Cc2ccccc2-c2cccc(C)c2)(C(N)=O)C1.
What is the InChIKey of 1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is AOGTZLAIHDVCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-19-8-7-10-20(16-19)22-11-4-3-9-21(22)17-27(26(28)31)14-15-29(18-27)25(30)23-12-5-6-13-24(23)32-2/h3-13,16H,14-15,17-18H2,1-2H3,(H2,28,31).
What are the key properties of 1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110230966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).