N-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide

C20H30N2O2 — CID 75103478

IUPACN-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(CCCC2CCCCC2)cc1)C1NCCC1O
InChIInChI=1S/C20H30N2O2/c23-18-13-14-21-19(18)20(24)22-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h9-12,15,18-19,21,23H,1-8,13-14H2,(H,22,24)
InChIKeyGJIVNQFKUDOCNR-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.25
Rot. Bonds6

About N-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide

N-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide (PubChem CID 75103478) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide
PubChem CID75103478
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(CCCC2CCCCC2)cc1)C1NCCC1O
InChIInChI=1S/C20H30N2O2/c23-18-13-14-21-19(18)20(24)22-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h9-12,15,18-19,21,23H,1-8,13-14H2,(H,22,24)
InChIKeyGJIVNQFKUDOCNR-UHFFFAOYSA-N
XLogP3.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide
CID 70668594
(3S)-3-hydroxy-N-[4-(4-hydroxyundecyl)phenyl]pyrrolidine-2-carboxamide
CID 45256011
(3S)-N-[4-(2-hexylsulfanylethyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide
CID 45256009
N-[4-(4-cyclobutylbutyl)phenyl]acetamide
CID 130280678
N-[4-(hexoxymethyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide
CID 66993193
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
N-(4-butylphenyl)-3-cyclopentylpropanamide
CID 4076618
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide
CID 62302187
N-[4-(2-bromoethyl)phenyl]cycloheptanecarboxamide
CID 114310257
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
N-(4-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 55060316

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide (CID 75103478) is N-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide is O=C(Nc1ccc(CCCC2CCCCC2)cc1)C1NCCC1O.
What is the InChIKey of N-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide?
The InChIKey is GJIVNQFKUDOCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-18-13-14-21-19(18)20(24)22-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h9-12,15,18-19,21,23H,1-8,13-14H2,(H,22,24).
What are the key properties of N-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide?
N-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 75103478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).