4-amino-N-(2-phenylbutyl)pyrrolidine-2-carboxamide

C15H23N3O — CID 123967791

IUPAC4-amino-N-(2-phenylbutyl)pyrrolidine-2-carboxamide
SMILESCCC(CNC(=O)C1CC(N)CN1)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-2-11(12-6-4-3-5-7-12)9-18-15(19)14-8-13(16)10-17-14/h3-7,11,13-14,17H,2,8-10,16H2,1H3,(H,18,19)
InChIKeyVXZBMGBYJHTUCA-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.99
Rot. Bonds5

About 4-amino-N-(2-phenylbutyl)pyrrolidine-2-carboxamide

4-amino-N-(2-phenylbutyl)pyrrolidine-2-carboxamide (PubChem CID 123967791) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-amino-N-(2-phenylbutyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-phenylbutyl)pyrrolidine-2-carboxamide
PubChem CID123967791
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-amino-N-(2-phenylbutyl)pyrrolidine-2-carboxamide
SMILESCCC(CNC(=O)C1CC(N)CN1)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-2-11(12-6-4-3-5-7-12)9-18-15(19)14-8-13(16)10-17-14/h3-7,11,13-14,17H,2,8-10,16H2,1H3,(H,18,19)
InChIKeyVXZBMGBYJHTUCA-UHFFFAOYSA-N
XLogP0.99
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylpropyl)-N-(2-phenylbutyl)pyrazolidine-3-carboxamide
CID 134028147
N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
CID 39952483
N-(2,3-diphenylpropyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119803955
(2R,4S)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125138942
(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125150269
N-(2-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 119271710
2-phenylbutylurea
CID 137320233
cis-(1S,2R)-2-[[(2S)-2-phenylbutyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 96564436
4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 123698157
4-hydroxy-N-(2-methoxy-2-phenylethyl)pyrrolidine-2-carboxamide
CID 119703911
(2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide
CID 125135014
1-(2-phenylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 75500959

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-phenylbutyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-amino-N-(2-phenylbutyl)pyrrolidine-2-carboxamide (CID 123967791) is 4-amino-N-(2-phenylbutyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-phenylbutyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-phenylbutyl)pyrrolidine-2-carboxamide is CCC(CNC(=O)C1CC(N)CN1)c1ccccc1.
What is the InChIKey of 4-amino-N-(2-phenylbutyl)pyrrolidine-2-carboxamide?
The InChIKey is VXZBMGBYJHTUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-11(12-6-4-3-5-7-12)9-18-15(19)14-8-13(16)10-17-14/h3-7,11,13-14,17H,2,8-10,16H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(2-phenylbutyl)pyrrolidine-2-carboxamide?
4-amino-N-(2-phenylbutyl)pyrrolidine-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-phenylbutyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 123967791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).