(3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C22H26N2O3 — CID 26882760

IUPAC(3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1
InChIInChI=1S/C22H26N2O3/c1-14-8-7-10-19(15(14)2)24-13-17(12-21(24)25)22(26)23-16(3)18-9-5-6-11-20(18)27-4/h5-11,16-17H,12-13H2,1-4H3,(H,23,26)/t16-,17+/m1/s1
InChIKeyUDWNQJFNONNLPP-SJORKVTESA-N
MW366.46 g/mol
LogP3.54
Rot. Bonds5

About (3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 26882760) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID26882760
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1
InChIInChI=1S/C22H26N2O3/c1-14-8-7-10-19(15(14)2)24-13-17(12-21(24)25)22(26)23-16(3)18-9-5-6-11-20(18)27-4/h5-11,16-17H,12-13H2,1-4H3,(H,23,26)/t16-,17+/m1/s1
InChIKeyUDWNQJFNONNLPP-SJORKVTESA-N
XLogP3.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-(1-naphthalen-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 24624530
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004996
1-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 134048379
(2S)-2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238624
1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42997194
(3R)-3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 97324448
(3S)-1-(2,3-dimethylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide
CID 35509762
1-(2-methoxyphenyl)-5-oxo-N-(1-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 78775658
1-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 136521459
(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41178267
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7824465
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7824466

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 26882760) is (3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccccc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1.
What is the InChIKey of (3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UDWNQJFNONNLPP-SJORKVTESA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14-8-7-10-19(15(14)2)24-13-17(12-21(24)25)22(26)23-16(3)18-9-5-6-11-20(18)27-4/h5-11,16-17H,12-13H2,1-4H3,(H,23,26)/t16-,17+/m1/s1.
What are the key properties of (3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 26882760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).