4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C20H31ClN2O2 — CID 119780053

IUPAC4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C2(CNC(=O)C3CC(O)CN3)CCCC2)cc1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-14(2)15-5-7-16(8-6-15)20(9-3-4-10-20)13-22-19(24)18-11-17(23)12-21-18;/h5-8,14,17-18,21,23H,3-4,9-13H2,1-2H3,(H,22,24);1H
InChIKeyONVNQJQSAVBMGC-UHFFFAOYSA-N
MW366.93 g/mol
LogP2.88
Rot. Bonds5

About 4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119780053) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is 4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119780053
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC Name4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C2(CNC(=O)C3CC(O)CN3)CCCC2)cc1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-14(2)15-5-7-16(8-6-15)20(9-3-4-10-20)13-22-19(24)18-11-17(23)12-21-18;/h5-8,14,17-18,21,23H,3-4,9-13H2,1-2H3,(H,22,24);1H
InChIKeyONVNQJQSAVBMGC-UHFFFAOYSA-N
XLogP2.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 74230276
4-hydroxy-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119716379
4-hydroxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119780127
(2S,4S)-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124703602
4-hydroxy-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 119747052
1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119780045
4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119770261
4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide
CID 119805133
(2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide
CID 119321524
4-hydroxy-N-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 119821380
4-hydroxy-N-[(1-propylcyclobutyl)methyl]pyrrolidine-2-carboxamide
CID 119821714
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119303951

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119780053) is 4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is CC(C)c1ccc(C2(CNC(=O)C3CC(O)CN3)CCCC2)cc1.Cl.
What is the InChIKey of 4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ONVNQJQSAVBMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.ClH/c1-14(2)15-5-7-16(8-6-15)20(9-3-4-10-20)13-22-19(24)18-11-17(23)12-21-18;/h5-8,14,17-18,21,23H,3-4,9-13H2,1-2H3,(H,22,24);1H.
What are the key properties of 4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 366.93 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119780053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).