N-(4-hydroxyphenyl)cyclohexanecarboxamide

C13H17NO2 — CID 4056004

IUPACN-(4-hydroxyphenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C13H17NO2/c15-12-8-6-11(7-9-12)14-13(16)10-4-2-1-3-5-10/h6-10,15H,1-5H2,(H,14,16)
InChIKeySPELRQCTCINJTP-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.91
Rot. Bonds2

About N-(4-hydroxyphenyl)cyclohexanecarboxamide

N-(4-hydroxyphenyl)cyclohexanecarboxamide (PubChem CID 4056004) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)cyclohexanecarboxamide
PubChem CID4056004
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(4-hydroxyphenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C13H17NO2/c15-12-8-6-11(7-9-12)14-13(16)10-4-2-1-3-5-10/h6-10,15H,1-5H2,(H,14,16)
InChIKeySPELRQCTCINJTP-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-hydroxyphenyl)cyclohexanecarboxamide (CID 4056004) is N-(4-hydroxyphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)cyclohexanecarboxamide is O=C(Nc1ccc(O)cc1)C1CCCCC1.
What is the InChIKey of N-(4-hydroxyphenyl)cyclohexanecarboxamide?
The InChIKey is SPELRQCTCINJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12-8-6-11(7-9-12)14-13(16)10-4-2-1-3-5-10/h6-10,15H,1-5H2,(H,14,16).
What are the key properties of N-(4-hydroxyphenyl)cyclohexanecarboxamide?
N-(4-hydroxyphenyl)cyclohexanecarboxamide has a molecular weight of 219.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 4056004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).