4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide

C16H22N2O2 — CID 6381697

IUPAC4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C2\CCCCC2C)cc1
InChIInChI=1S/C16H22N2O2/c1-3-20-14-10-8-13(9-11-14)16(19)18-17-15-7-5-4-6-12(15)2/h8-12H,3-7H2,1-2H3,(H,18,19)/b17-15+
InChIKeyUXWKDUKQEBFFFA-BMRADRMJSA-N
MW274.36 g/mol
LogP3.38
Rot. Bonds4

About 4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide

4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide (PubChem CID 6381697) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide
PubChem CID6381697
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C2\CCCCC2C)cc1
InChIInChI=1S/C16H22N2O2/c1-3-20-14-10-8-13(9-11-14)16(19)18-17-15-7-5-4-6-12(15)2/h8-12H,3-7H2,1-2H3,(H,18,19)/b17-15+
InChIKeyUXWKDUKQEBFFFA-BMRADRMJSA-N
XLogP3.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.38
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-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide
CID 8518251
(2S)-2-(4-ethoxyanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide
CID 26869544
3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 9232770
2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
CID 7929758
4-ethoxy-N-[(4-propylcyclohexylidene)amino]benzamide
CID 4109635
3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 7722671
2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 129360183
4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide
CID 171980771
4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
CID 135577256
[(Z)-(2-methylcyclohexylidene)amino]urea
CID 5374162
2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 98299823
N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide
CID 4925778

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide?
The IUPAC name of 4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide (CID 6381697) is 4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide is CCOc1ccc(C(=O)N/N=C2\CCCCC2C)cc1.
What is the InChIKey of 4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide?
The InChIKey is UXWKDUKQEBFFFA-BMRADRMJSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-20-14-10-8-13(9-11-14)16(19)18-17-15-7-5-4-6-12(15)2/h8-12H,3-7H2,1-2H3,(H,18,19)/b17-15+.
What are the key properties of 4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide?
4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide has a molecular weight of 274.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide is sourced from PubChem (CID 6381697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).