3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide

C16H24N2O — CID 102778018

IUPAC3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide
SMILESCCCC(NC(=O)C1NCCC1C)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-7-14(13-8-5-4-6-9-13)18-16(19)15-12(2)10-11-17-15/h4-6,8-9,12,14-15,17H,3,7,10-11H2,1-2H3,(H,18,19)
InChIKeyVVFPGWCHLOYKOK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.64
Rot. Bonds5

About 3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide

3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide (PubChem CID 102778018) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide
PubChem CID102778018
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide
SMILESCCCC(NC(=O)C1NCCC1C)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-7-14(13-8-5-4-6-9-13)18-16(19)15-12(2)10-11-17-15/h4-6,8-9,12,14-15,17H,3,7,10-11H2,1-2H3,(H,18,19)
InChIKeyVVFPGWCHLOYKOK-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779419
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide
CID 107067392
(2R)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913042
(2S)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913043
4-(1-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672295
N-[(1S)-1-phenylbutyl]oxane-4-carboxamide
CID 95203312
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779429
2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid
CID 107067870
3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide
CID 107067400
N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide
CID 106230636
N-butan-2-yl-3-methylpyrrolidine-2-carboxamide
CID 102776775
methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
CID 107068110

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide (CID 102778018) is 3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide is CCCC(NC(=O)C1NCCC1C)c1ccccc1.
What is the InChIKey of 3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide?
The InChIKey is VVFPGWCHLOYKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-7-14(13-8-5-4-6-9-13)18-16(19)15-12(2)10-11-17-15/h4-6,8-9,12,14-15,17H,3,7,10-11H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide?
3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102778018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).