3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide

C16H22N2O3 — CID 9232770

IUPAC3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C2/CCCC[C@@H]2C)cc1OC
InChIInChI=1S/C16H22N2O3/c1-11-6-4-5-7-13(11)17-18-16(19)12-8-9-14(20-2)15(10-12)21-3/h8-11H,4-7H2,1-3H3,(H,18,19)/b17-13-/t11-/m0/s1
InChIKeyJGYHHYMQNQUVTG-DUQXYPDUSA-N
MW290.36 g/mol
LogP3.00
Rot. Bonds4

About 3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide

3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide (PubChem CID 9232770) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
PubChem CID9232770
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C2/CCCC[C@@H]2C)cc1OC
InChIInChI=1S/C16H22N2O3/c1-11-6-4-5-7-13(11)17-18-16(19)12-8-9-14(20-2)15(10-12)21-3/h8-11H,4-7H2,1-3H3,(H,18,19)/b17-13-/t11-/m0/s1
InChIKeyJGYHHYMQNQUVTG-DUQXYPDUSA-N
XLogP3.00
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide
CID 6381697
3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 7722671
N-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide
CID 98504378
N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide
CID 129431197
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3,4-dimethoxybenzamide
CID 9232780
3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide
CID 8974483
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-(cyclohexylideneamino)-3-methoxy-4-propan-2-yloxybenzamide
CID 18229626
2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 98299823
3-iodo-4-methoxy-N-[[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 129460274
cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate
CID 985959
3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide
CID 6027685

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide (CID 9232770) is 3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide is COc1ccc(C(=O)N/N=C2/CCCC[C@@H]2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide?
The InChIKey is JGYHHYMQNQUVTG-DUQXYPDUSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-6-4-5-7-13(11)17-18-16(19)12-8-9-14(20-2)15(10-12)21-3/h8-11H,4-7H2,1-3H3,(H,18,19)/b17-13-/t11-/m0/s1.
What are the key properties of 3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide?
3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide has a molecular weight of 290.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide is sourced from PubChem (CID 9232770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).