N-(4-hydroxyphenyl)cycloheptanecarboxamide

C14H19NO2 — CID 62589451

IUPACN-(4-hydroxyphenyl)cycloheptanecarboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCCCCC1
InChIInChI=1S/C14H19NO2/c16-13-9-7-12(8-10-13)15-14(17)11-5-3-1-2-4-6-11/h7-11,16H,1-6H2,(H,15,17)
InChIKeyCIHQUCCBHPLHED-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.30
Rot. Bonds2

About N-(4-hydroxyphenyl)cycloheptanecarboxamide

N-(4-hydroxyphenyl)cycloheptanecarboxamide (PubChem CID 62589451) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)cycloheptanecarboxamide
PubChem CID62589451
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(4-hydroxyphenyl)cycloheptanecarboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCCCCC1
InChIInChI=1S/C14H19NO2/c16-13-9-7-12(8-10-13)15-14(17)11-5-3-1-2-4-6-11/h7-11,16H,1-6H2,(H,15,17)
InChIKeyCIHQUCCBHPLHED-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)cycloheptanecarboxamide?
The IUPAC name of N-(4-hydroxyphenyl)cycloheptanecarboxamide (CID 62589451) is N-(4-hydroxyphenyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)cycloheptanecarboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)cycloheptanecarboxamide is O=C(Nc1ccc(O)cc1)C1CCCCCC1.
What is the InChIKey of N-(4-hydroxyphenyl)cycloheptanecarboxamide?
The InChIKey is CIHQUCCBHPLHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-13-9-7-12(8-10-13)15-14(17)11-5-3-1-2-4-6-11/h7-11,16H,1-6H2,(H,15,17).
What are the key properties of N-(4-hydroxyphenyl)cycloheptanecarboxamide?
N-(4-hydroxyphenyl)cycloheptanecarboxamide has a molecular weight of 233.31 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)cycloheptanecarboxamide is sourced from PubChem (CID 62589451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).