(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide

C17H22N2O3 — CID 9398255

IUPAC(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@H](C(=O)Nc2ccc(C(C)=O)cc2)CC1=O
InChIInChI=1S/C17H22N2O3/c1-3-4-9-19-11-14(10-16(19)21)17(22)18-15-7-5-13(6-8-15)12(2)20/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeyAYNNVMJYGWOJAJ-CQSZACIVSA-N
MW302.37 g/mol
LogP2.48
Rot. Bonds6

About (3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 9398255) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
PubChem CID9398255
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@H](C(=O)Nc2ccc(C(C)=O)cc2)CC1=O
InChIInChI=1S/C17H22N2O3/c1-3-4-9-19-11-14(10-16(19)21)17(22)18-15-7-5-13(6-8-15)12(2)20/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeyAYNNVMJYGWOJAJ-CQSZACIVSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153547
N-(4-acetylphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182588
(3S)-1-butyl-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 27195496
(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398060
N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082489
1-butyl-5-oxo-N-[4-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 17018945
(3S)-1-butyl-5-oxo-N-[4-(pyridin-4-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 41457449
methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate
CID 17153521
N-[4-[(3-acetamidophenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153531
N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153541
N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185750
5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185719

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide (CID 9398255) is (3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide is CCCCN1C[C@H](C(=O)Nc2ccc(C(C)=O)cc2)CC1=O.
What is the InChIKey of (3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AYNNVMJYGWOJAJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-4-9-19-11-14(10-16(19)21)17(22)18-15-7-5-13(6-8-15)12(2)20/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,22)/t14-/m1/s1.
What are the key properties of (3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9398255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).