N-methoxy-N-methylcyclohexanecarboxamide

C9H17NO2 — CID 11769007

IUPACN-methoxy-N-methylcyclohexanecarboxamide
SMILESCON(C)C(=O)C1CCCCC1
InChIInChI=1S/C9H17NO2/c1-10(12-2)9(11)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyMVBZPHKLBBUMNK-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.59
Rot. Bonds2

About N-methoxy-N-methylcyclohexanecarboxamide

N-methoxy-N-methylcyclohexanecarboxamide (PubChem CID 11769007) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-methoxy-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-methoxy-N-methylcyclohexanecarboxamide
PubChem CID11769007
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-methoxy-N-methylcyclohexanecarboxamide
SMILESCON(C)C(=O)C1CCCCC1
InChIInChI=1S/C9H17NO2/c1-10(12-2)9(11)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyMVBZPHKLBBUMNK-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-methoxy-N-methylcyclohexanecarboxamide?
The IUPAC name of N-methoxy-N-methylcyclohexanecarboxamide (CID 11769007) is N-methoxy-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-methoxy-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-methoxy-N-methylcyclohexanecarboxamide is CON(C)C(=O)C1CCCCC1.
What is the InChIKey of N-methoxy-N-methylcyclohexanecarboxamide?
The InChIKey is MVBZPHKLBBUMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10(12-2)9(11)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3.
What are the key properties of N-methoxy-N-methylcyclohexanecarboxamide?
N-methoxy-N-methylcyclohexanecarboxamide has a molecular weight of 171.24 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 11769007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).