N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H25N3O3 — CID 18153844

IUPACN-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCc3ccc(NC(C)=O)cc3)CC2=O)cc1
InChIInChI=1S/C22H25N3O3/c1-3-16-6-10-20(11-7-16)25-14-18(12-21(25)27)22(28)23-13-17-4-8-19(9-5-17)24-15(2)26/h4-11,18H,3,12-14H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyACJHRNSBPKNZRC-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.88
Rot. Bonds6

About N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 18153844) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID18153844
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCc3ccc(NC(C)=O)cc3)CC2=O)cc1
InChIInChI=1S/C22H25N3O3/c1-3-16-6-10-20(11-7-16)25-14-18(12-21(25)27)22(28)23-13-17-4-8-19(9-5-17)24-15(2)26/h4-11,18H,3,12-14H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyACJHRNSBPKNZRC-UHFFFAOYSA-N
XLogP2.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-acetamidoethyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595737
(3S)-N-(4-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 739797
(3R)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680412
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
N-[2-(4-chloroanilino)-2-oxoethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 60570940
N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3107620
1-[4-(dimethylamino)phenyl]-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189650
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
N-[[4-(butanoylamino)phenyl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55781741
(3S)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988212
N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3620424
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 18153844) is N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)NCc3ccc(NC(C)=O)cc3)CC2=O)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ACJHRNSBPKNZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-16-6-10-20(11-7-16)25-14-18(12-21(25)27)22(28)23-13-17-4-8-19(9-5-17)24-15(2)26/h4-11,18H,3,12-14H2,1-2H3,(H,23,28)(H,24,26).
What are the key properties of N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 18153844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).