(3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C27H27N3O3 — CID 92900169

IUPAC(3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)NCc4ccccc4C)CC3=O)c2)c1
InChIInChI=1S/C27H27N3O3/c1-18-7-5-11-23(13-18)29-27(33)20-10-6-12-24(14-20)30-17-22(15-25(30)31)26(32)28-16-21-9-4-3-8-19(21)2/h3-14,22H,15-17H2,1-2H3,(H,28,32)(H,29,33)/t22-/m0/s1
InChIKeyRMQXOYVFNVXLMG-QFIPXVFZSA-N
MW441.53 g/mol
LogP4.23
Rot. Bonds6

About (3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 92900169) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is (3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID92900169
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name(3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)NCc4ccccc4C)CC3=O)c2)c1
InChIInChI=1S/C27H27N3O3/c1-18-7-5-11-23(13-18)29-27(33)20-10-6-12-24(14-20)30-17-22(15-25(30)31)26(32)28-16-21-9-4-3-8-19(21)2/h3-14,22H,15-17H2,1-2H3,(H,28,32)(H,29,33)/t22-/m0/s1
InChIKeyRMQXOYVFNVXLMG-QFIPXVFZSA-N
XLogP4.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50844748
(3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058207
(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978837
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
N-(3,4-dimethylphenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50844327
(3S)-N-(3,4-dimethylphenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 95058167
(3R)-N-(4-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058194
(3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92727160
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
(3R)-N-(2,3-dimethylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058180
N-(3-methylphenyl)-3-[2-oxo-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide
CID 50844521
(3R)-1-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 28892382

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 92900169) is (3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)NCc4ccccc4C)CC3=O)c2)c1.
What is the InChIKey of (3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RMQXOYVFNVXLMG-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-18-7-5-11-23(13-18)29-27(33)20-10-6-12-24(14-20)30-17-22(15-25(30)31)26(32)28-16-21-9-4-3-8-19(21)2/h3-14,22H,15-17H2,1-2H3,(H,28,32)(H,29,33)/t22-/m0/s1.
What are the key properties of (3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92900169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).