4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide

C9H17NO3 — CID 86642922

IUPAC4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(O)CC1
InChIInChI=1S/C9H17NO3/c1-10(13-2)9(12)7-3-5-8(11)6-4-7/h7-8,11H,3-6H2,1-2H3
InChIKeyAAOAKZFEKLJKNQ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.56
Rot. Bonds2

About 4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide

4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide (PubChem CID 86642922) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide
PubChem CID86642922
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(O)CC1
InChIInChI=1S/C9H17NO3/c1-10(13-2)9(12)7-3-5-8(11)6-4-7/h7-8,11H,3-6H2,1-2H3
InChIKeyAAOAKZFEKLJKNQ-UHFFFAOYSA-N
XLogP0.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide (CID 86642922) is 4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide is CON(C)C(=O)C1CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is AAOAKZFEKLJKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-10(13-2)9(12)7-3-5-8(11)6-4-7/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide?
4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 187.24 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methoxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 86642922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).