N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide

C14H19NO2 — CID 110013635

IUPACN-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCCC2O)c1
InChIInChI=1S/C14H19NO2/c1-9-6-10(2)8-11(7-9)15-14(17)12-4-3-5-13(12)16/h6-8,12-13,16H,3-5H2,1-2H3,(H,15,17)
InChIKeyHCVUKNYKHPEFGG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.40
Rot. Bonds2

About N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide

N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110013635) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide
PubChem CID110013635
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCCC2O)c1
InChIInChI=1S/C14H19NO2/c1-9-6-10(2)8-11(7-9)15-14(17)12-4-3-5-13(12)16/h6-8,12-13,16H,3-5H2,1-2H3,(H,15,17)
InChIKeyHCVUKNYKHPEFGG-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130914
2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107571596
(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11905183
(1R,6S)-6-[(3,5-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6942206
N-(3-acetamido-4-chlorophenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015470
N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013625
(1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 9097108
2-hydroxy-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 110013769
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
N-(2-fluoro-5-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013794
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide (CID 110013635) is N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide is Cc1cc(C)cc(NC(=O)C2CCCC2O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is HCVUKNYKHPEFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-6-10(2)8-11(7-9)15-14(17)12-4-3-5-13(12)16/h6-8,12-13,16H,3-5H2,1-2H3,(H,15,17).
What are the key properties of N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide?
N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110013635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).