N-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide

C20H22N2O3 — CID 139929862

IUPACN-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(NN=C(c1ccccc1O)c1ccccc1O)C1CCCCC1
InChIInChI=1S/C20H22N2O3/c23-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)24)21-22-20(25)14-8-2-1-3-9-14/h4-7,10-14,23-24H,1-3,8-9H2,(H,22,25)
InChIKeyPJZBACGUIXRULK-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.55
Rot. Bonds4

About N-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide

N-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide (PubChem CID 139929862) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
PubChem CID139929862
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(NN=C(c1ccccc1O)c1ccccc1O)C1CCCCC1
InChIInChI=1S/C20H22N2O3/c23-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)24)21-22-20(25)14-8-2-1-3-9-14/h4-7,10-14,23-24H,1-3,8-9H2,(H,22,25)
InChIKeyPJZBACGUIXRULK-UHFFFAOYSA-N
XLogP3.55
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze N-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 3541547
N-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925196
N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide
CID 3970319
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
CID 5161964
N-(1-naphthalen-2-ylethylideneamino)cyclohexanecarboxamide
CID 832851
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
CID 19685369
2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid
CID 26871360
4-[[bis(2-hydroxyphenyl)methylideneamino]carbamoyl]benzoic acid
CID 139929758
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
cyclohexylcyclohexane;2-hydroxybenzoic acid
CID 70398658
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991

Frequently Asked Questions

What is the IUPAC name of N-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide (CID 139929862) is N-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide is O=C(NN=C(c1ccccc1O)c1ccccc1O)C1CCCCC1.
What is the InChIKey of N-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide?
The InChIKey is PJZBACGUIXRULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)24)21-22-20(25)14-8-2-1-3-9-14/h4-7,10-14,23-24H,1-3,8-9H2,(H,22,25).
What are the key properties of N-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide?
N-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 139929862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).