N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide

C20H22N2O2 — CID 3970319

IUPACN-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide
SMILESO=C(NN=C(c1ccccc1)C1CCCCC1)c1ccccc1O
InChIInChI=1S/C20H22N2O2/c23-18-14-8-7-13-17(18)20(24)22-21-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16,23H,2,5-6,11-12H2,(H,22,24)
InChIKeyXYVUUKCPKWONFK-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.11
Rot. Bonds4

About N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide

N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide (PubChem CID 3970319) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide
PubChem CID3970319
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide
SMILESO=C(NN=C(c1ccccc1)C1CCCCC1)c1ccccc1O
InChIInChI=1S/C20H22N2O2/c23-18-14-8-7-13-17(18)20(24)22-21-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16,23H,2,5-6,11-12H2,(H,22,24)
InChIKeyXYVUUKCPKWONFK-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
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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Related Compounds

N-[(Z)-[cyclohexyl(phenyl)methylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 6109947
[(E)-[cyclobutyl(phenyl)methylidene]amino]urea
CID 5381908
N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931
N-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 139929862
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
N-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-hydroxybenzamide
CID 6178413
N-[(E)-1-[4-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]ethylideneamino]-2-hydroxybenzamide
CID 7227666
cyclohexanecarboxylic acid;N-methylbenzamide
CID 70533648
2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 129360183
2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 6263609
cyclohexylcyclohexane;2-hydroxybenzoic acid
CID 70398658

Frequently Asked Questions

What is the IUPAC name of N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide?
The IUPAC name of N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide (CID 3970319) is N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide.
What is the SMILES notation for N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide?
The canonical SMILES for N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide is O=C(NN=C(c1ccccc1)C1CCCCC1)c1ccccc1O.
What is the InChIKey of N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide?
The InChIKey is XYVUUKCPKWONFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-18-14-8-7-13-17(18)20(24)22-21-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16,23H,2,5-6,11-12H2,(H,22,24).
What are the key properties of N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide?
N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide has a molecular weight of 322.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide is sourced from PubChem (CID 3970319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).