3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide

C22H26N2O4 — CID 8974483

IUPAC3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide
SMILESCOc1cc(C(=O)N/N=C2/CCCC[C@@H]2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C22H26N2O4/c1-26-19-13-16(14-20(27-2)21(19)28-3)22(25)24-23-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-6,9-10,13-14,17H,7-8,11-12H2,1-3H3,(H,24,25)/b23-18-/t17-/m1/s1
InChIKeyVPTHYMHBJMHWIZ-USMQXWLVSA-N
MW382.46 g/mol
LogP4.16
Rot. Bonds6

About 3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide

3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide (PubChem CID 8974483) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide
PubChem CID8974483
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide
SMILESCOc1cc(C(=O)N/N=C2/CCCC[C@@H]2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C22H26N2O4/c1-26-19-13-16(14-20(27-2)21(19)28-3)22(25)24-23-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-6,9-10,13-14,17H,7-8,11-12H2,1-3H3,(H,24,25)/b23-18-/t17-/m1/s1
InChIKeyVPTHYMHBJMHWIZ-USMQXWLVSA-N
XLogP4.16
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide
CID 11935372
3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 9232770
N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4,5-trimethoxybenzamide
CID 7308879
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452
3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide
CID 9461102
(2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 119033998
2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide
CID 9030369
2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid
CID 27331603
3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1163292
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
3,4,5-trimethoxy-N-(propylideneamino)benzamide
CID 3317143

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide (CID 8974483) is 3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide is COc1cc(C(=O)N/N=C2/CCCC[C@@H]2c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide?
The InChIKey is VPTHYMHBJMHWIZ-USMQXWLVSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-26-19-13-16(14-20(27-2)21(19)28-3)22(25)24-23-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-6,9-10,13-14,17H,7-8,11-12H2,1-3H3,(H,24,25)/b23-18-/t17-/m1/s1.
What are the key properties of 3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide?
3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide has a molecular weight of 382.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide is sourced from PubChem (CID 8974483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).