(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C21H23N3O3 — CID 92727083

IUPAC(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(NC(C)=O)c3)C2)c1
InChIInChI=1S/C21H23N3O3/c1-3-15-6-4-7-17(10-15)23-21(27)16-11-20(26)24(13-16)19-9-5-8-18(12-19)22-14(2)25/h4-10,12,16H,3,11,13H2,1-2H3,(H,22,25)(H,23,27)/t16-/m0/s1
InChIKeyLKKXLNJSCJVFRY-INIZCTEOSA-N
MW365.43 g/mol
LogP3.20
Rot. Bonds5

About (3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 92727083) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID92727083
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(NC(C)=O)c3)C2)c1
InChIInChI=1S/C21H23N3O3/c1-3-15-6-4-7-17(10-15)23-21(27)16-11-20(26)24(13-16)19-9-5-8-18(12-19)22-14(2)25/h4-10,12,16H,3,11,13H2,1-2H3,(H,22,25)(H,23,27)/t16-/m0/s1
InChIKeyLKKXLNJSCJVFRY-INIZCTEOSA-N
XLogP3.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946699
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
(3S)-N-(3-ethylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7935157
N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946600
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
(3S)-1-(3-acetamidophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727013
(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide
CID 92727126
(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727107
(3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727068
methyl 4-[[1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 42946684
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 92727083) is (3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(NC(C)=O)c3)C2)c1.
What is the InChIKey of (3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LKKXLNJSCJVFRY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-15-6-4-7-17(10-15)23-21(27)16-11-20(26)24(13-16)19-9-5-8-18(12-19)22-14(2)25/h4-10,12,16H,3,11,13H2,1-2H3,(H,22,25)(H,23,27)/t16-/m0/s1.
What are the key properties of (3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92727083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).