1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide

C15H19N3O3 — CID 88553627

IUPAC1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)N/N=C/C2CCCCC2)cc1
InChIInChI=1S/C15H19N3O3/c19-14(17-16-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(20)18-21/h6-11,21H,1-5H2,(H,17,19)(H,18,20)/b16-10+
InChIKeyYQHXKVOMEDPNCL-MHWRWJLKSA-N
MW289.33 g/mol
LogP2.10
Rot. Bonds4

About 1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide

1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 88553627) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
PubChem CID88553627
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)N/N=C/C2CCCCC2)cc1
InChIInChI=1S/C15H19N3O3/c19-14(17-16-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(20)18-21/h6-11,21H,1-5H2,(H,17,19)(H,18,20)/b16-10+
InChIKeyYQHXKVOMEDPNCL-MHWRWJLKSA-N
XLogP2.10
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-(cyclohexylmethylideneamino)-4-nitrobenzamide
CID 4625468
N-(cyclohexylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 5128114
1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea
CID 54581671
2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide
CID 57404080
4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 135613044
4-bromo-N-(cyclohexylmethylideneamino)-1,3-dimethylpyrazole-5-carboxamide
CID 4773024
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide
CID 6544583
3-chloro-N-(cyclohexylmethylideneamino)-6-methyl-1-benzothiophene-2-carboxamide
CID 3380759
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215546
2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide
CID 7788343
1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 6256670

Frequently Asked Questions

What is the IUPAC name of 1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide (CID 88553627) is 1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide is O=C(NO)c1ccc(C(=O)N/N=C/C2CCCCC2)cc1.
What is the InChIKey of 1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is YQHXKVOMEDPNCL-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-14(17-16-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(20)18-21/h6-11,21H,1-5H2,(H,17,19)(H,18,20)/b16-10+.
What are the key properties of 1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide?
1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 289.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 88553627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).