N-(2-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxamide

C14H17NO2 — CID 90904766

IUPACN-(2-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxamide
SMILESC=C1CCC(C(=O)Nc2ccccc2O)CC1
InChIInChI=1S/C14H17NO2/c1-10-6-8-11(9-7-10)14(17)15-12-4-2-3-5-13(12)16/h2-5,11,16H,1,6-9H2,(H,15,17)
InChIKeyWMKZUPBQJDIIPB-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.08
Rot. Bonds2

About N-(2-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxamide

N-(2-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxamide (PubChem CID 90904766) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxamide
PubChem CID90904766
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-(2-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxamide
SMILESC=C1CCC(C(=O)Nc2ccccc2O)CC1
InChIInChI=1S/C14H17NO2/c1-10-6-8-11(9-7-10)14(17)15-12-4-2-3-5-13(12)16/h2-5,11,16H,1,6-9H2,(H,15,17)
InChIKeyWMKZUPBQJDIIPB-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
1-(2-hydroxycyclohexyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 110883481
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
3-(cyclopropanecarbonylamino)-N-(2-hydroxyphenyl)benzamide
CID 29260677
1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112822850
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 174928613
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
2-amino-N-(2-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64852235
N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide
CID 126839220

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxamide (CID 90904766) is N-(2-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxamide is C=C1CCC(C(=O)Nc2ccccc2O)CC1.
What is the InChIKey of N-(2-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxamide?
The InChIKey is WMKZUPBQJDIIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-6-8-11(9-7-10)14(17)15-12-4-2-3-5-13(12)16/h2-5,11,16H,1,6-9H2,(H,15,17).
What are the key properties of N-(2-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxamide?
N-(2-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxamide is sourced from PubChem (CID 90904766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).