4-(cyclohexanecarbonylamino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide

C21H23N3O4 — CID 135418715

IUPAC4-(cyclohexanecarbonylamino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C21H23N3O4/c25-18-11-8-16(19(26)12-18)13-22-24-21(28)15-6-9-17(10-7-15)23-20(27)14-4-2-1-3-5-14/h6-14,25-26H,1-5H2,(H,23,27)(H,24,28)/b22-13+
InChIKeyIEVNMZBVZZWMDL-LPYMAVHISA-N
MW381.43 g/mol
LogP3.38
Rot. Bonds5

About 4-(cyclohexanecarbonylamino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide

4-(cyclohexanecarbonylamino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide (PubChem CID 135418715) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
PubChem CID135418715
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name4-(cyclohexanecarbonylamino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C21H23N3O4/c25-18-11-8-16(19(26)12-18)13-22-24-21(28)15-6-9-17(10-7-15)23-20(27)14-4-2-1-3-5-14/h6-14,25-26H,1-5H2,(H,23,27)(H,24,28)/b22-13+
InChIKeyIEVNMZBVZZWMDL-LPYMAVHISA-N
XLogP3.38
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

Gsk-9089
CID 5497124
4-Aminobenzoic (2-hydroxybenzylidene)hydrazide
CID 135408682
N-[[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 644030
N-(4-{[2-(3-hydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875721
N-{4-[N-(2-hydroxybenzoyl)ethanehydrazonoyl]phenyl}benzamide
CID 9694778
4-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135620064
N-(2-{[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]carbonyl}phenyl)benzamide
CID 135625843
Benzamide, 4-methyl-N-[3-(4-hydroxybenzylidenhydrazinocarbonyl)phenyl]-
CID 135419955
N'-(2,4-Dihydroxybenzylidene)-4-nitrobenzohydrazide
CID 135421778
4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6903298
2-oxidanyl-N-[(E)-1-[4-(2-phenylethanoylamino)phenyl]ethylideneamino]benzamide
CID 25237596
N-{4-[(1E)-1-{2-[(4-hydroxyphenyl)carbonyl]hydrazinylidene}ethyl]phenyl}-2-phenylacetamide
CID 25237598

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide (CID 135418715) is 4-(cyclohexanecarbonylamino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(O)cc1O)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The InChIKey is IEVNMZBVZZWMDL-LPYMAVHISA-N. The full InChI is InChI=1S/C21H23N3O4/c25-18-11-8-16(19(26)12-18)13-22-24-21(28)15-6-9-17(10-7-15)23-20(27)14-4-2-1-3-5-14/h6-14,25-26H,1-5H2,(H,23,27)(H,24,28)/b22-13+.
What are the key properties of 4-(cyclohexanecarbonylamino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide?
4-(cyclohexanecarbonylamino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide has a molecular weight of 381.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135418715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).