N-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide

C20H22N2O2 — CID 6393534

IUPACN-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide
SMILESO=C(N/N=C(\c1ccccc1)C1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c23-19(17-12-6-2-7-13-17)22-21-18(16-10-4-1-5-11-16)20(24)14-8-3-9-15-20/h1-2,4-7,10-13,24H,3,8-9,14-15H2,(H,22,23)/b21-18+
InChIKeyQBLPHRVFIOUTJQ-DYTRJAOYSA-N
MW322.41 g/mol
LogP3.52
Rot. Bonds4

About N-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide

N-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide (PubChem CID 6393534) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide.

Molecular Properties

Compound NameN-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide
PubChem CID6393534
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide
SMILESO=C(N/N=C(\c1ccccc1)C1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c23-19(17-12-6-2-7-13-17)22-21-18(16-10-4-1-5-11-16)20(24)14-8-3-9-15-20/h1-2,4-7,10-13,24H,3,8-9,14-15H2,(H,22,23)/b21-18+
InChIKeyQBLPHRVFIOUTJQ-DYTRJAOYSA-N
XLogP3.52
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
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'}

Analyze N-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide?
The IUPAC name of N-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide (CID 6393534) is N-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide.
What is the SMILES notation for N-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide?
The canonical SMILES for N-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide is O=C(N/N=C(\c1ccccc1)C1(O)CCCCC1)c1ccccc1.
What is the InChIKey of N-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide?
The InChIKey is QBLPHRVFIOUTJQ-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19(17-12-6-2-7-13-17)22-21-18(16-10-4-1-5-11-16)20(24)14-8-3-9-15-20/h1-2,4-7,10-13,24H,3,8-9,14-15H2,(H,22,23)/b21-18+.
What are the key properties of N-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide?
N-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide is sourced from PubChem (CID 6393534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).