4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide

C24H38N2O2 — CID 171980771

IUPAC4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide
SMILESCCCCCCCCCCOc1ccc(C(=O)N/N=C2\CCCC(C)C2)cc1
InChIInChI=1S/C24H38N2O2/c1-3-4-5-6-7-8-9-10-18-28-23-16-14-21(15-17-23)24(27)26-25-22-13-11-12-20(2)19-22/h14-17,20H,3-13,18-19H2,1-2H3,(H,26,27)/b25-22+
InChIKeyXNWGZWFANPMOHG-YYDJUVGSSA-N
MW386.58 g/mol
LogP6.50
Rot. Bonds12

About 4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide

4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide (PubChem CID 171980771) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide.

Molecular Properties

Compound Name4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide
PubChem CID171980771
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide
SMILESCCCCCCCCCCOc1ccc(C(=O)N/N=C2\CCCC(C)C2)cc1
InChIInChI=1S/C24H38N2O2/c1-3-4-5-6-7-8-9-10-18-28-23-16-14-21(15-17-23)24(27)26-25-22-13-11-12-20(2)19-22/h14-17,20H,3-13,18-19H2,1-2H3,(H,26,27)/b25-22+
InChIKeyXNWGZWFANPMOHG-YYDJUVGSSA-N
XLogP6.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylideneamino)-4-hexoxybenzamide
CID 4930590
N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide
CID 4925778
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide
CID 7435064
3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 7858460
N-[(3-methylcyclohexylidene)amino]hexanamide
CID 3593486
4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide
CID 58413561
2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
CID 7823428
4-butoxy-N-cyclobutylbenzamide
CID 71449411
3-iodo-4-methoxy-N-[[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 129460274
N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide
CID 3270935
4-heptoxy-N-methylbenzamide
CID 3291691
2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
CID 4196468

Frequently Asked Questions

What is the IUPAC name of 4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide?
The IUPAC name of 4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide (CID 171980771) is 4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide.
What is the SMILES notation for 4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide?
The canonical SMILES for 4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide is CCCCCCCCCCOc1ccc(C(=O)N/N=C2\CCCC(C)C2)cc1.
What is the InChIKey of 4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide?
The InChIKey is XNWGZWFANPMOHG-YYDJUVGSSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-3-4-5-6-7-8-9-10-18-28-23-16-14-21(15-17-23)24(27)26-25-22-13-11-12-20(2)19-22/h14-17,20H,3-13,18-19H2,1-2H3,(H,26,27)/b25-22+.
What are the key properties of 4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide?
4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide has a molecular weight of 386.58 g/mol, XLogP of 6.50, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide is sourced from PubChem (CID 171980771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).