(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide

C15H22N2O — CID 61156078

IUPAC(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
SMILESCCCCc1ccc(NC(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C15H22N2O/c1-2-3-5-12-7-9-13(10-8-12)17-15(18)14-6-4-11-16-14/h7-10,14,16H,2-6,11H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyNPCGHTCDFYUJSA-AWEZNQCLSA-N
MW246.35 g/mol
LogP2.72
Rot. Bonds5

About (2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide

(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide (PubChem CID 61156078) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
PubChem CID61156078
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
SMILESCCCCc1ccc(NC(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C15H22N2O/c1-2-3-5-12-7-9-13(10-8-12)17-15(18)14-6-4-11-16-14/h7-10,14,16H,2-6,11H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyNPCGHTCDFYUJSA-AWEZNQCLSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide
CID 119315477
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 71987055
(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 103795041
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119283612
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119321333
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide (CID 61156078) is (2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide is CCCCc1ccc(NC(=O)[C@@H]2CCCN2)cc1.
What is the InChIKey of (2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is NPCGHTCDFYUJSA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-5-12-7-9-13(10-8-12)17-15(18)14-6-4-11-16-14/h7-10,14,16H,2-6,11H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide?
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61156078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).