4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide

C15H22N2O2 — CID 61254438

IUPAC4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CC(O)CN1
InChIInChI=1S/C15H22N2O2/c1-11(7-8-12-5-3-2-4-6-12)17-15(19)14-9-13(18)10-16-14/h2-6,11,13-14,16,18H,7-10H2,1H3,(H,17,19)
InChIKeyIPKXWWGHHBUCQW-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.85
Rot. Bonds5

About 4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide

4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 61254438) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
PubChem CID61254438
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CC(O)CN1
InChIInChI=1S/C15H22N2O2/c1-11(7-8-12-5-3-2-4-6-12)17-15(19)14-9-13(18)10-16-14/h2-6,11,13-14,16,18H,7-10H2,1H3,(H,17,19)
InChIKeyIPKXWWGHHBUCQW-UHFFFAOYSA-N
XLogP0.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119804053
(2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 125138536
N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119262921
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
(2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130719317
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
(2R,4S)-4-hydroxy-N-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 125138913
4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81380061
2-phenyl-N-(4-phenylbutan-2-yl)cyclopropane-1-carboxamide
CID 4072324
N-[1-(4-ethylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43702940
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81378542
5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide
CID 75255190

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide (CID 61254438) is 4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide is CC(CCc1ccccc1)NC(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is IPKXWWGHHBUCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(7-8-12-5-3-2-4-6-12)17-15(19)14-9-13(18)10-16-14/h2-6,11,13-14,16,18H,7-10H2,1H3,(H,17,19).
What are the key properties of 4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61254438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).