1-hydroxy-N-phenylcyclohexane-1-carboxamide

C13H17NO2 — CID 564629

IUPAC1-hydroxy-N-phenylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C13H17NO2/c15-12(13(16)9-5-2-6-10-13)14-11-7-3-1-4-8-11/h1,3-4,7-8,16H,2,5-6,9-10H2,(H,14,15)
InChIKeyKDRGAOAXOPDKGN-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.32
Rot. Bonds2

About 1-hydroxy-N-phenylcyclohexane-1-carboxamide

1-hydroxy-N-phenylcyclohexane-1-carboxamide (PubChem CID 564629) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-hydroxy-N-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-phenylcyclohexane-1-carboxamide
PubChem CID564629
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-hydroxy-N-phenylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C13H17NO2/c15-12(13(16)9-5-2-6-10-13)14-11-7-3-1-4-8-11/h1,3-4,7-8,16H,2,5-6,9-10H2,(H,14,15)
InChIKeyKDRGAOAXOPDKGN-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-phenylcyclohexane-1-carboxamide?
The IUPAC name of 1-hydroxy-N-phenylcyclohexane-1-carboxamide (CID 564629) is 1-hydroxy-N-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-N-phenylcyclohexane-1-carboxamide?
The canonical SMILES for 1-hydroxy-N-phenylcyclohexane-1-carboxamide is O=C(Nc1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-hydroxy-N-phenylcyclohexane-1-carboxamide?
The InChIKey is KDRGAOAXOPDKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12(13(16)9-5-2-6-10-13)14-11-7-3-1-4-8-11/h1,3-4,7-8,16H,2,5-6,9-10H2,(H,14,15).
What are the key properties of 1-hydroxy-N-phenylcyclohexane-1-carboxamide?
1-hydroxy-N-phenylcyclohexane-1-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 564629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).