N-[2-[(2,3-dihydroxyphenyl)methylideneamino]-2-methylpropyl]-2-hydroxybenzamide

C18H20N2O4 — CID 136671044

IUPACN-[2-[(2,3-dihydroxyphenyl)methylideneamino]-2-methylpropyl]-2-hydroxybenzamide
SMILESCC(C)(CNC(=O)c1ccccc1O)/N=C/c1cccc(O)c1O
InChIInChI=1S/C18H20N2O4/c1-18(2,20-10-12-6-5-9-15(22)16(12)23)11-19-17(24)13-7-3-4-8-14(13)21/h3-10,21-23H,11H2,1-2H3,(H,19,24)/b20-10+
InChIKeyWTAJMULPTKEWAV-KEBDBYFISA-N
MW328.37 g/mol
LogP2.43
Rot. Bonds5

About N-[2-[(2,3-dihydroxyphenyl)methylideneamino]-2-methylpropyl]-2-hydroxybenzamide

N-[2-[(2,3-dihydroxyphenyl)methylideneamino]-2-methylpropyl]-2-hydroxybenzamide (PubChem CID 136671044) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[2-[(2,3-dihydroxyphenyl)methylideneamino]-2-methylpropyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[(2,3-dihydroxyphenyl)methylideneamino]-2-methylpropyl]-2-hydroxybenzamide
PubChem CID136671044
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[2-[(2,3-dihydroxyphenyl)methylideneamino]-2-methylpropyl]-2-hydroxybenzamide
SMILESCC(C)(CNC(=O)c1ccccc1O)/N=C/c1cccc(O)c1O
InChIInChI=1S/C18H20N2O4/c1-18(2,20-10-12-6-5-9-15(22)16(12)23)11-19-17(24)13-7-3-4-8-14(13)21/h3-10,21-23H,11H2,1-2H3,(H,19,24)/b20-10+
InChIKeyWTAJMULPTKEWAV-KEBDBYFISA-N
XLogP2.43
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylbutyl)-2-hydroxybenzamide
CID 103461996
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 103824551
2-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 113348236
2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide
CID 139130185
N-tert-butyl-2-hydroxybenzamide
CID 139189948
2-(2-methylbutan-2-yliminomethyl)phenol
CID 153389272
N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135959957
2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide
CID 101344836
N-(3-amino-2,2-difluoropropyl)-2-hydroxybenzamide
CID 114383534
2-hydroxy-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135715804
N'-(2,2-dimethylpropyl)-2-hydroxybenzohydrazide
CID 1275966
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dihydroxyphenyl)methylideneamino]-2-methylpropyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-[(2,3-dihydroxyphenyl)methylideneamino]-2-methylpropyl]-2-hydroxybenzamide (CID 136671044) is N-[2-[(2,3-dihydroxyphenyl)methylideneamino]-2-methylpropyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-[(2,3-dihydroxyphenyl)methylideneamino]-2-methylpropyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-[(2,3-dihydroxyphenyl)methylideneamino]-2-methylpropyl]-2-hydroxybenzamide is CC(C)(CNC(=O)c1ccccc1O)/N=C/c1cccc(O)c1O.
What is the InChIKey of N-[2-[(2,3-dihydroxyphenyl)methylideneamino]-2-methylpropyl]-2-hydroxybenzamide?
The InChIKey is WTAJMULPTKEWAV-KEBDBYFISA-N. The full InChI is InChI=1S/C18H20N2O4/c1-18(2,20-10-12-6-5-9-15(22)16(12)23)11-19-17(24)13-7-3-4-8-14(13)21/h3-10,21-23H,11H2,1-2H3,(H,19,24)/b20-10+.
What are the key properties of N-[2-[(2,3-dihydroxyphenyl)methylideneamino]-2-methylpropyl]-2-hydroxybenzamide?
N-[2-[(2,3-dihydroxyphenyl)methylideneamino]-2-methylpropyl]-2-hydroxybenzamide has a molecular weight of 328.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dihydroxyphenyl)methylideneamino]-2-methylpropyl]-2-hydroxybenzamide is sourced from PubChem (CID 136671044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).