N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide

C16H22N2O — CID 6020523

IUPACN-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide
SMILESCC1C/C(=N\NC(=O)c2ccccc2)CC(C)(C)C1
InChIInChI=1S/C16H22N2O/c1-12-9-14(11-16(2,3)10-12)17-18-15(19)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,18,19)/b17-14+
InChIKeyZSOAREHTIRHVGC-SAPNQHFASA-N
MW258.37 g/mol
LogP3.62
Rot. Bonds2

About N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide

N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide (PubChem CID 6020523) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide.

Molecular Properties

Compound NameN-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide
PubChem CID6020523
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide
SMILESCC1C/C(=N\NC(=O)c2ccccc2)CC(C)(C)C1
InChIInChI=1S/C16H22N2O/c1-12-9-14(11-16(2,3)10-12)17-18-15(19)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,18,19)/b17-14+
InChIKeyZSOAREHTIRHVGC-SAPNQHFASA-N
XLogP3.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide
CID 7765364
N-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide
CID 6377558
3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide
CID 129431751
N-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine
CID 4637201
[(E)-(3,3,5-trimethylcyclohexylidene)amino]urea
CID 6181691
2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide
CID 7689241
N-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide
CID 129434317
2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide
CID 42912536
N-[(4-methylcyclohexylidene)amino]-4-phenylbenzamide
CID 4137154
4-amino-3,5,6-trichloro-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]pyridin-1-ium-2-carboxamide
CID 135830107
N-(cyclododecylideneamino)benzamide
CID 4147051
1-(2-methoxyethyl)-3-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]thiourea
CID 7689651

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide?
The IUPAC name of N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide (CID 6020523) is N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide.
What is the SMILES notation for N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide?
The canonical SMILES for N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide is CC1C/C(=N\NC(=O)c2ccccc2)CC(C)(C)C1.
What is the InChIKey of N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide?
The InChIKey is ZSOAREHTIRHVGC-SAPNQHFASA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-9-14(11-16(2,3)10-12)17-18-15(19)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,18,19)/b17-14+.
What are the key properties of N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide?
N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide has a molecular weight of 258.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide is sourced from PubChem (CID 6020523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).