N-[(4-tert-butylcyclohexylidene)amino]-2-hydroxybenzamide

C17H24N2O2 — CID 749633

IUPACN-[(4-tert-butylcyclohexylidene)amino]-2-hydroxybenzamide
SMILESCC(C)(C)C1CCC(=NNC(=O)c2ccccc2O)CC1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)12-8-10-13(11-9-12)18-19-16(21)14-6-4-5-7-15(14)20/h4-7,12,20H,8-11H2,1-3H3,(H,19,21)/b18-13-
InChIKeyJFQJEOXOSBYQRN-AQTBWJFISA-N
MW288.39 g/mol
LogP3.71
Rot. Bonds2

About N-[(4-tert-butylcyclohexylidene)amino]-2-hydroxybenzamide

N-[(4-tert-butylcyclohexylidene)amino]-2-hydroxybenzamide (PubChem CID 749633) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexylidene)amino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexylidene)amino]-2-hydroxybenzamide
PubChem CID749633
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(4-tert-butylcyclohexylidene)amino]-2-hydroxybenzamide
SMILESCC(C)(C)C1CCC(=NNC(=O)c2ccccc2O)CC1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)12-8-10-13(11-9-12)18-19-16(21)14-6-4-5-7-15(14)20/h4-7,12,20H,8-11H2,1-3H3,(H,19,21)/b18-13-
InChIKeyJFQJEOXOSBYQRN-AQTBWJFISA-N
XLogP3.71
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.71
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-2-hydroxybenzamide?
The IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-2-hydroxybenzamide (CID 749633) is N-[(4-tert-butylcyclohexylidene)amino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(4-tert-butylcyclohexylidene)amino]-2-hydroxybenzamide?
The canonical SMILES for N-[(4-tert-butylcyclohexylidene)amino]-2-hydroxybenzamide is CC(C)(C)C1CCC(=NNC(=O)c2ccccc2O)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexylidene)amino]-2-hydroxybenzamide?
The InChIKey is JFQJEOXOSBYQRN-AQTBWJFISA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2,3)12-8-10-13(11-9-12)18-19-16(21)14-6-4-5-7-15(14)20/h4-7,12,20H,8-11H2,1-3H3,(H,19,21)/b18-13-.
What are the key properties of N-[(4-tert-butylcyclohexylidene)amino]-2-hydroxybenzamide?
N-[(4-tert-butylcyclohexylidene)amino]-2-hydroxybenzamide has a molecular weight of 288.39 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexylidene)amino]-2-hydroxybenzamide is sourced from PubChem (CID 749633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).