1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide

C17H24N2O2 — CID 134005373

IUPAC1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCCC1C(=O)Nc1ccccc1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)12-15(20)19-11-7-10-14(19)16(21)18-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,18,21)
InChIKeyHYGOMVGCSSRBHK-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.05
Rot. Bonds3

About 1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide

1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide (PubChem CID 134005373) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide
PubChem CID134005373
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCCC1C(=O)Nc1ccccc1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)12-15(20)19-11-7-10-14(19)16(21)18-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,18,21)
InChIKeyHYGOMVGCSSRBHK-UHFFFAOYSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
4-[[1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]amino]-2-methylbenzoic acid
CID 119240410
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
(2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
CID 51071442
N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 119032269
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
CID 120566139
(2R)-1-(2-phenylacetyl)-N-[4-[(E)-2-[4-[[(2R)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 53326825
1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide
CID 47022864
1-(3,3-dimethylbutanoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-2-carboxamide
CID 60608683
tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937
(2S)-1-(2-methylsulfanylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768691

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide (CID 134005373) is 1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide is CC(C)(C)CC(=O)N1CCCC1C(=O)Nc1ccccc1.
What is the InChIKey of 1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is HYGOMVGCSSRBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2,3)12-15(20)19-11-7-10-14(19)16(21)18-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,18,21).
What are the key properties of 1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide?
1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134005373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).