N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide

C23H29N3O — CID 4298976

IUPACN-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide
SMILESCC(=NNC(=O)c1ccc(N(C)C)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C23H29N3O/c1-17(18-9-11-20(12-10-18)19-7-5-4-6-8-19)24-25-23(27)21-13-15-22(16-14-21)26(2)3/h9-16,19H,4-8H2,1-3H3,(H,25,27)
InChIKeyJVDIYLGHPJROQK-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.95
Rot. Bonds5

About N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide

N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide (PubChem CID 4298976) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide
PubChem CID4298976
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide
SMILESCC(=NNC(=O)c1ccc(N(C)C)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C23H29N3O/c1-17(18-9-11-20(12-10-18)19-7-5-4-6-8-19)24-25-23(27)21-13-15-22(16-14-21)26(2)3/h9-16,19H,4-8H2,1-3H3,(H,25,27)
InChIKeyJVDIYLGHPJROQK-UHFFFAOYSA-N
XLogP4.95
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.95
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

1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 6256670
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide
CID 4581588
N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide
CID 3638697
4-cyclopentyl-N,N-dimethylaniline
CID 54506338
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215396
4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 3435837
N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 5336340
4-cyclobutyl-N,N-dimethylaniline
CID 170179749
4-(dimethylamino)-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 5411726
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851
4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 6152424

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide?
The IUPAC name of N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide (CID 4298976) is N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide is CC(=NNC(=O)c1ccc(N(C)C)cc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide?
The InChIKey is JVDIYLGHPJROQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-17(18-9-11-20(12-10-18)19-7-5-4-6-8-19)24-25-23(27)21-13-15-22(16-14-21)26(2)3/h9-16,19H,4-8H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide?
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide has a molecular weight of 363.51 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide is sourced from PubChem (CID 4298976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).