N-[[3-(4-ethylphenyl)-2,2-dimethylpropylidene]amino]-2-hydroxybenzamide

C20H24N2O2 — CID 3995481

IUPACN-[[3-(4-ethylphenyl)-2,2-dimethylpropylidene]amino]-2-hydroxybenzamide
SMILESCCc1ccc(CC(C)(C)C=NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C20H24N2O2/c1-4-15-9-11-16(12-10-15)13-20(2,3)14-21-22-19(24)17-7-5-6-8-18(17)23/h5-12,14,23H,4,13H2,1-3H3,(H,22,24)
InChIKeyICVKAWRSVOMOLV-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.94
Rot. Bonds6

About N-[[3-(4-ethylphenyl)-2,2-dimethylpropylidene]amino]-2-hydroxybenzamide

N-[[3-(4-ethylphenyl)-2,2-dimethylpropylidene]amino]-2-hydroxybenzamide (PubChem CID 3995481) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[[3-(4-ethylphenyl)-2,2-dimethylpropylidene]amino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[[3-(4-ethylphenyl)-2,2-dimethylpropylidene]amino]-2-hydroxybenzamide
PubChem CID3995481
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[[3-(4-ethylphenyl)-2,2-dimethylpropylidene]amino]-2-hydroxybenzamide
SMILESCCc1ccc(CC(C)(C)C=NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C20H24N2O2/c1-4-15-9-11-16(12-10-15)13-20(2,3)14-21-22-19(24)17-7-5-6-8-18(17)23/h5-12,14,23H,4,13H2,1-3H3,(H,22,24)
InChIKeyICVKAWRSVOMOLV-UHFFFAOYSA-N
XLogP3.94
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.94
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

2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide
CID 70615404
2-hydroxy-N-(pentylideneamino)benzamide
CID 3686688
N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide
CID 793892
N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide
CID 2593298
N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 4249042
5-ethyl-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide
CID 60611924
2-hydroxy-N-[[2-hydroxy-5-[[4-hydroxy-3-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]methyl]phenyl]methylideneamino]benzamide
CID 4531044
2-hydroxy-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5392167
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide
CID 44791043
N-(3,7-dimethylocta-2,6-dienylideneamino)-2-hydroxybenzamide
CID 2827312
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 103824551

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethylphenyl)-2,2-dimethylpropylidene]amino]-2-hydroxybenzamide?
The IUPAC name of N-[[3-(4-ethylphenyl)-2,2-dimethylpropylidene]amino]-2-hydroxybenzamide (CID 3995481) is N-[[3-(4-ethylphenyl)-2,2-dimethylpropylidene]amino]-2-hydroxybenzamide.
What is the SMILES notation for N-[[3-(4-ethylphenyl)-2,2-dimethylpropylidene]amino]-2-hydroxybenzamide?
The canonical SMILES for N-[[3-(4-ethylphenyl)-2,2-dimethylpropylidene]amino]-2-hydroxybenzamide is CCc1ccc(CC(C)(C)C=NNC(=O)c2ccccc2O)cc1.
What is the InChIKey of N-[[3-(4-ethylphenyl)-2,2-dimethylpropylidene]amino]-2-hydroxybenzamide?
The InChIKey is ICVKAWRSVOMOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-15-9-11-16(12-10-15)13-20(2,3)14-21-22-19(24)17-7-5-6-8-18(17)23/h5-12,14,23H,4,13H2,1-3H3,(H,22,24).
What are the key properties of N-[[3-(4-ethylphenyl)-2,2-dimethylpropylidene]amino]-2-hydroxybenzamide?
N-[[3-(4-ethylphenyl)-2,2-dimethylpropylidene]amino]-2-hydroxybenzamide has a molecular weight of 324.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethylphenyl)-2,2-dimethylpropylidene]amino]-2-hydroxybenzamide is sourced from PubChem (CID 3995481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).