N-[(2-hydroxyphenyl)methylideneamino]-3-oxobutanamide

C11H12N2O3 — CID 163408587

IUPACN-[(2-hydroxyphenyl)methylideneamino]-3-oxobutanamide
SMILESCC(=O)CC(=O)NN=Cc1ccccc1O
InChIInChI=1S/C11H12N2O3/c1-8(14)6-11(16)13-12-7-9-4-2-3-5-10(9)15/h2-5,7,15H,6H2,1H3,(H,13,16)
InChIKeyVAPQXTBQKKEDDV-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.82
Rot. Bonds4

About N-[(2-hydroxyphenyl)methylideneamino]-3-oxobutanamide

N-[(2-hydroxyphenyl)methylideneamino]-3-oxobutanamide (PubChem CID 163408587) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methylideneamino]-3-oxobutanamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methylideneamino]-3-oxobutanamide
PubChem CID163408587
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-[(2-hydroxyphenyl)methylideneamino]-3-oxobutanamide
SMILESCC(=O)CC(=O)NN=Cc1ccccc1O
InChIInChI=1S/C11H12N2O3/c1-8(14)6-11(16)13-12-7-9-4-2-3-5-10(9)15/h2-5,7,15H,6H2,1H3,(H,13,16)
InChIKeyVAPQXTBQKKEDDV-UHFFFAOYSA-N
XLogP0.82
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxybenzaldehyde semicarbazone
CID 135466838
Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
Mls002667267
CID 241689
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 135520028
N'-(2,4-dihydroxybenzylidene)cyclopropanecarbohydrazide
CID 135643065
N'-[(E)-(2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647875
(2E)-2-benzylidene-4-hydroxy-N'-[(E)-(2-hydroxyphenyl)methylidene]butanehydrazide
CID 135521411
2-{2-[1-(2-Hydroxyphenyl)propylidene]hydrazino}-2-oxoacetamide
CID 135521546
1,5-Bis(salicylidene)carbohydrazide
CID 96015
N'-(5-Bromo-2-hydroxybenzylidene)acetohydrazide
CID 135627846
Adipic bis(2-hydroxybenzylidenehydrazide)
CID 135420165
N'-(2-Hydroxybenzylidene)-2-(4-methyl-1-piperazinyl)acetohydrazide
CID 135533972

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-3-oxobutanamide?
The IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-3-oxobutanamide (CID 163408587) is N-[(2-hydroxyphenyl)methylideneamino]-3-oxobutanamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methylideneamino]-3-oxobutanamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methylideneamino]-3-oxobutanamide is CC(=O)CC(=O)NN=Cc1ccccc1O.
What is the InChIKey of N-[(2-hydroxyphenyl)methylideneamino]-3-oxobutanamide?
The InChIKey is VAPQXTBQKKEDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-8(14)6-11(16)13-12-7-9-4-2-3-5-10(9)15/h2-5,7,15H,6H2,1H3,(H,13,16).
What are the key properties of N-[(2-hydroxyphenyl)methylideneamino]-3-oxobutanamide?
N-[(2-hydroxyphenyl)methylideneamino]-3-oxobutanamide has a molecular weight of 220.23 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methylideneamino]-3-oxobutanamide is sourced from PubChem (CID 163408587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).