(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H22N2O3 — CID 9004578

IUPAC(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(OC)cc2)CC1=O
InChIInChI=1S/C20H22N2O3/c1-3-14-6-4-5-7-18(14)22-13-15(12-19(22)23)20(24)21-16-8-10-17(25-2)11-9-16/h4-11,15H,3,12-13H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyMPZYEKGAEHQONB-HNNXBMFYSA-N
MW338.41 g/mol
LogP3.25
Rot. Bonds5

About (3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9004578) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9004578
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(OC)cc2)CC1=O
InChIInChI=1S/C20H22N2O3/c1-3-14-6-4-5-7-18(14)22-13-15(12-19(22)23)20(24)21-16-8-10-17(25-2)11-9-16/h4-11,15H,3,12-13H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyMPZYEKGAEHQONB-HNNXBMFYSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
methyl 4-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 26098178
1-(2-bromophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46583917
1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 16547907
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3R)-1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004579
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75809403
N-[4-(difluoromethylsulfanyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 112759119
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
1-(2-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120329
1-(2-ethylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55855272

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9004578) is (3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(OC)cc2)CC1=O.
What is the InChIKey of (3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MPZYEKGAEHQONB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-14-6-4-5-7-18(14)22-13-15(12-19(22)23)20(24)21-16-8-10-17(25-2)11-9-16/h4-11,15H,3,12-13H2,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9004578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).