(6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide

C16H22N2O2 — CID 102471131

IUPAC(6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide
SMILESCON(C)C(=O)C1=CCCC[C@@H]1NCc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-18(20-2)16(19)14-10-6-7-11-15(14)17-12-13-8-4-3-5-9-13/h3-5,8-10,15,17H,6-7,11-12H2,1-2H3/t15-/m0/s1
InChIKeyAOHHFQGJDGMFFO-HNNXBMFYSA-N
MW274.36 g/mol
LogP2.27
Rot. Bonds5

About (6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide

(6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide (PubChem CID 102471131) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide.

Molecular Properties

Compound Name(6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide
PubChem CID102471131
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide
SMILESCON(C)C(=O)C1=CCCC[C@@H]1NCc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-18(20-2)16(19)14-10-6-7-11-15(14)17-12-13-8-4-3-5-9-13/h3-5,8-10,15,17H,6-7,11-12H2,1-2H3/t15-/m0/s1
InChIKeyAOHHFQGJDGMFFO-HNNXBMFYSA-N
XLogP2.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide?
The IUPAC name of (6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide (CID 102471131) is (6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide.
What is the SMILES notation for (6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide?
The canonical SMILES for (6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide is CON(C)C(=O)C1=CCCC[C@@H]1NCc1ccccc1.
What is the InChIKey of (6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide?
The InChIKey is AOHHFQGJDGMFFO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18(20-2)16(19)14-10-6-7-11-15(14)17-12-13-8-4-3-5-9-13/h3-5,8-10,15,17H,6-7,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide?
(6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(benzylamino)-N-methoxy-N-methylcyclohexene-1-carboxamide is sourced from PubChem (CID 102471131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).