N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide

C22H26N2O — CID 4581588

IUPACN-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide
SMILESCC(=NNC(=O)c1ccc(C)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H26N2O/c1-16-8-10-21(11-9-16)22(25)24-23-17(2)18-12-14-20(15-13-18)19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,24,25)
InChIKeyXARHTJZTACDOKI-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.20
Rot. Bonds4

About N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide

N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide (PubChem CID 4581588) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide
PubChem CID4581588
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide
SMILESCC(=NNC(=O)c1ccc(C)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H26N2O/c1-16-8-10-21(11-9-16)22(25)24-23-17(2)18-12-14-20(15-13-18)19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,24,25)
InChIKeyXARHTJZTACDOKI-UHFFFAOYSA-N
XLogP5.20
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.20
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

1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 6256670
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 4298976
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide
CID 3638697
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 3435837
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 5406605
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide?
The IUPAC name of N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide (CID 4581588) is N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide is CC(=NNC(=O)c1ccc(C)cc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide?
The InChIKey is XARHTJZTACDOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-16-8-10-21(11-9-16)22(25)24-23-17(2)18-12-14-20(15-13-18)19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,24,25).
What are the key properties of N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide?
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide has a molecular weight of 334.46 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide is sourced from PubChem (CID 4581588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).