(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'}

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Related Compounds

methyl 2-(benzylcarbamoyl)cyclohex-2-ene-1-carboxylate
CID 11065619
N-benzyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine
CID 123735693
methyl 2-(benzylamino)cyclohexane-1-carboxylate
CID 171324800
methyl 3-(benzylamino)cyclopentane-1-carboxylate
CID 67382791
methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate
CID 54515313
(Z)-but-2-enedioic acid;trans-(1R,2R)-2-N-benzyl-1-N,1-N-dimethylcyclopentane-1,2-diamine
CID 70590961
methyl 2-(phenylcarbamoyl)cyclohex-2-ene-1-carboxylate
CID 11139812
5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide
CID 123841690
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 141320364
1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109147881
N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide
CID 164919372

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).