2-cyclopropyl-N-methoxy-1-methylcyclohexane-1-carboxamide

C12H21NO2 — CID 134993871

IUPAC2-cyclopropyl-N-methoxy-1-methylcyclohexane-1-carboxamide
SMILESCONC(=O)C1(C)CCCCC1C1CC1
InChIInChI=1S/C12H21NO2/c1-12(11(14)13-15-2)8-4-3-5-10(12)9-6-7-9/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyCGGZXTIZYNBZIA-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.27
Rot. Bonds3

About 2-cyclopropyl-N-methoxy-1-methylcyclohexane-1-carboxamide

2-cyclopropyl-N-methoxy-1-methylcyclohexane-1-carboxamide (PubChem CID 134993871) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-cyclopropyl-N-methoxy-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-methoxy-1-methylcyclohexane-1-carboxamide
PubChem CID134993871
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-cyclopropyl-N-methoxy-1-methylcyclohexane-1-carboxamide
SMILESCONC(=O)C1(C)CCCCC1C1CC1
InChIInChI=1S/C12H21NO2/c1-12(11(14)13-15-2)8-4-3-5-10(12)9-6-7-9/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyCGGZXTIZYNBZIA-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
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 2-cyclopropyl-N-methoxy-1-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-cyclopropyl-N-methoxy-1-methylcyclohexane-1-carboxamide (CID 134993871) is 2-cyclopropyl-N-methoxy-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-methoxy-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-methoxy-1-methylcyclohexane-1-carboxamide is CONC(=O)C1(C)CCCCC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-methoxy-1-methylcyclohexane-1-carboxamide?
The InChIKey is CGGZXTIZYNBZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(11(14)13-15-2)8-4-3-5-10(12)9-6-7-9/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-cyclopropyl-N-methoxy-1-methylcyclohexane-1-carboxamide?
2-cyclopropyl-N-methoxy-1-methylcyclohexane-1-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methoxy-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 134993871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).