(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide

C16H24N2O — CID 131848769

IUPAC(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-3-11-17-16(19)15-10-7-12-18(15)13-14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyNKCNGISFOQHBLD-HNNXBMFYSA-N
MW260.38 g/mol
LogP2.57
Rot. Bonds6

About (2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide

(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide (PubChem CID 131848769) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
PubChem CID131848769
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-3-11-17-16(19)15-10-7-12-18(15)13-14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyNKCNGISFOQHBLD-HNNXBMFYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 51098589
1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 102563188
1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119393584
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
N-(3-phenylpropyl)-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 134803452
1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide
CID 60579538
1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119538060
(2S)-2-benzyl-3-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 125136876
ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate
CID 60579128

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide (CID 131848769) is (2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide is CCCCNC(=O)[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide?
The InChIKey is NKCNGISFOQHBLD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-3-11-17-16(19)15-10-7-12-18(15)13-14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3,(H,17,19)/t15-/m0/s1.
What are the key properties of (2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide?
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide is sourced from PubChem (CID 131848769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).