4-methoxy-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide

C17H22N2O2 — CID 9359349

IUPAC4-methoxy-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C2\C=C(C)CC(C)(C)C2)cc1
InChIInChI=1S/C17H22N2O2/c1-12-9-14(11-17(2,3)10-12)18-19-16(20)13-5-7-15(21-4)8-6-13/h5-9H,10-11H2,1-4H3,(H,19,20)/b18-14+
InChIKeyGWSZRHJNMVEUKF-NBVRZTHBSA-N
MW286.38 g/mol
LogP3.55
Rot. Bonds3

About 4-methoxy-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide

4-methoxy-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide (PubChem CID 9359349) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide
PubChem CID9359349
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-methoxy-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C2\C=C(C)CC(C)(C)C2)cc1
InChIInChI=1S/C17H22N2O2/c1-12-9-14(11-17(2,3)10-12)18-19-16(20)13-5-7-15(21-4)8-6-13/h5-9H,10-11H2,1-4H3,(H,19,20)/b18-14+
InChIKeyGWSZRHJNMVEUKF-NBVRZTHBSA-N
XLogP3.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide
CID 4251233
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359355
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide
CID 164702540
N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide
CID 7115296
4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135621814
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate
CID 23268418
(9E)-9-[(4-methoxybenzoyl)hydrazinylidene]fluorene-1-carboxylic acid
CID 162639298
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide
CID 7937122
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide?
The IUPAC name of 4-methoxy-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide (CID 9359349) is 4-methoxy-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide?
The canonical SMILES for 4-methoxy-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide is COc1ccc(C(=O)N/N=C2\C=C(C)CC(C)(C)C2)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide?
The InChIKey is GWSZRHJNMVEUKF-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-9-14(11-17(2,3)10-12)18-19-16(20)13-5-7-15(21-4)8-6-13/h5-9H,10-11H2,1-4H3,(H,19,20)/b18-14+.
What are the key properties of 4-methoxy-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide?
4-methoxy-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide has a molecular weight of 286.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide is sourced from PubChem (CID 9359349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).