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

C16H24N2O — CID 63139520

IUPAC3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide
SMILESCCCC(NC(=O)C1(C)CCNC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-7-14(13-8-5-4-6-9-13)18-15(19)16(2)10-11-17-12-16/h4-6,8-9,14,17H,3,7,10-12H2,1-2H3,(H,18,19)
InChIKeyRBYXIXOZADZARM-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.64
Rot. Bonds5

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

3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide (PubChem CID 63139520) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide
PubChem CID63139520
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide
SMILESCCCC(NC(=O)C1(C)CCNC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-7-14(13-8-5-4-6-9-13)18-15(19)16(2)10-11-17-12-16/h4-6,8-9,14,17H,3,7,10-12H2,1-2H3,(H,18,19)
InChIKeyRBYXIXOZADZARM-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

3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
CID 63131193
(2S)-2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 104983323
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63261449
3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid
CID 63142311
2-[(3-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 63141860
3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 55165528
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-phenylbutyl]acetamide
CID 7594709
N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107863282
N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide
CID 63141440
N-(2-imidazol-1-yl-1-phenylethyl)-4-methylpiperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 154889857
N-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide
CID 63121965

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide (CID 63139520) is 3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide is CCCC(NC(=O)C1(C)CCNC1)c1ccccc1.
What is the InChIKey of 3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide?
The InChIKey is RBYXIXOZADZARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-7-14(13-8-5-4-6-9-13)18-15(19)16(2)10-11-17-12-16/h4-6,8-9,14,17H,3,7,10-12H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide?
3-methyl-N-(1-phenylbutyl)pyrrolidine-3-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-3-carboxamide is sourced from PubChem (CID 63139520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).