1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide

C22H24N4O4 — CID 135977022

IUPAC1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide
SMILESO=C(N/N=C\c1ccccc1O)C1CCC(C(=O)N/N=C\c2ccccc2O)CC1
InChIInChI=1S/C22H24N4O4/c27-19-7-3-1-5-17(19)13-23-25-21(29)15-9-11-16(12-10-15)22(30)26-24-14-18-6-2-4-8-20(18)28/h1-8,13-16,27-28H,9-12H2,(H,25,29)(H,26,30)/b23-13-,24-14-
InChIKeyDLRLQYGRNOHATF-GACBQCINSA-N
MW408.46 g/mol
LogP2.50
Rot. Bonds6

About 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide

1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide (PubChem CID 135977022) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide
PubChem CID135977022
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide
SMILESO=C(N/N=C\c1ccccc1O)C1CCC(C(=O)N/N=C\c2ccccc2O)CC1
InChIInChI=1S/C22H24N4O4/c27-19-7-3-1-5-17(19)13-23-25-21(29)15-9-11-16(12-10-15)22(30)26-24-14-18-6-2-4-8-20(18)28/h1-8,13-16,27-28H,9-12H2,(H,25,29)(H,26,30)/b23-13-,24-14-
InChIKeyDLRLQYGRNOHATF-GACBQCINSA-N
XLogP2.50
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2693831
N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5334576
N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907933
N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135504408
N-[(Z)-naphthalen-1-ylmethylideneamino]cyclopropanecarboxamide
CID 5420009
N-[(2-hydroxyphenyl)methylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
CID 136914428
1-[(4-bromophenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]piperidin-1-ium-4-carboxamide
CID 135765286
N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 6079987
2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid
CID 26871360
4-(cyclohexanecarbonylamino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136887197
N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 24819076
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide (CID 135977022) is 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide is O=C(N/N=C\c1ccccc1O)C1CCC(C(=O)N/N=C\c2ccccc2O)CC1.
What is the InChIKey of 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide?
The InChIKey is DLRLQYGRNOHATF-GACBQCINSA-N. The full InChI is InChI=1S/C22H24N4O4/c27-19-7-3-1-5-17(19)13-23-25-21(29)15-9-11-16(12-10-15)22(30)26-24-14-18-6-2-4-8-20(18)28/h1-8,13-16,27-28H,9-12H2,(H,25,29)(H,26,30)/b23-13-,24-14-.
What are the key properties of 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 135977022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).