1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide

C18H26N2O2 — CID 17120866

IUPAC1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CC(=O)N(c2cc(C)cc(C)c2)C1
InChIInChI=1S/C18H26N2O2/c1-5-6-14(4)19-18(22)15-10-17(21)20(11-15)16-8-12(2)7-13(3)9-16/h7-9,14-15H,5-6,10-11H2,1-4H3,(H,19,22)
InChIKeyAWQSDIRMIRBWQG-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.96
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide

1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide (PubChem CID 17120866) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
PubChem CID17120866
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CC(=O)N(c2cc(C)cc(C)c2)C1
InChIInChI=1S/C18H26N2O2/c1-5-6-14(4)19-18(22)15-10-17(21)20(11-15)16-8-12(2)7-13(3)9-16/h7-9,14-15H,5-6,10-11H2,1-4H3,(H,19,22)
InChIKeyAWQSDIRMIRBWQG-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 40965916
(3S)-1-(3-methoxyphenyl)-5-oxo-N-[(2S)-pentan-2-yl]pyrrolidine-3-carboxamide
CID 9376482
(3S)-N-[(2S)-butan-2-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393073
N-butan-2-yl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082340
N-heptan-2-yl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687120
ethyl (3S)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075693
(3R)-1-(3,5-dimethylphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005233
1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 46671576
1-(4-bromo-3-methylphenyl)-N-butan-2-yl-5-oxopyrrolidine-3-carboxamide
CID 113190392
(3S)-N-[(2S)-butan-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084262
N-butan-2-yl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2926634
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50874050

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide (CID 17120866) is 1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide is CCCC(C)NC(=O)C1CC(=O)N(c2cc(C)cc(C)c2)C1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is AWQSDIRMIRBWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-6-14(4)19-18(22)15-10-17(21)20(11-15)16-8-12(2)7-13(3)9-16/h7-9,14-15H,5-6,10-11H2,1-4H3,(H,19,22).
What are the key properties of 1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide?
1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17120866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).