N'-[(2-hydroxyphenyl)methylideneamino]-N-(2-methylpropyl)propanediamide

C14H19N3O3 — CID 2250700

IUPACN'-[(2-hydroxyphenyl)methylideneamino]-N-(2-methylpropyl)propanediamide
SMILESCC(C)CNC(=O)CC(=O)NN=Cc1ccccc1O
InChIInChI=1S/C14H19N3O3/c1-10(2)8-15-13(19)7-14(20)17-16-9-11-5-3-4-6-12(11)18/h3-6,9-10,18H,7-8H2,1-2H3,(H,15,19)(H,17,20)
InChIKeyFRGSVONETFBTII-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.00
Rot. Bonds6

About N'-[(2-hydroxyphenyl)methylideneamino]-N-(2-methylpropyl)propanediamide

N'-[(2-hydroxyphenyl)methylideneamino]-N-(2-methylpropyl)propanediamide (PubChem CID 2250700) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N'-[(2-hydroxyphenyl)methylideneamino]-N-(2-methylpropyl)propanediamide.

Molecular Properties

Compound NameN'-[(2-hydroxyphenyl)methylideneamino]-N-(2-methylpropyl)propanediamide
PubChem CID2250700
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN'-[(2-hydroxyphenyl)methylideneamino]-N-(2-methylpropyl)propanediamide
SMILESCC(C)CNC(=O)CC(=O)NN=Cc1ccccc1O
InChIInChI=1S/C14H19N3O3/c1-10(2)8-15-13(19)7-14(20)17-16-9-11-5-3-4-6-12(11)18/h3-6,9-10,18H,7-8H2,1-2H3,(H,15,19)(H,17,20)
InChIKeyFRGSVONETFBTII-UHFFFAOYSA-N
XLogP1.00
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.00
H-Bond Donors ≤ 53
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

Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
2-(1-azepanyl)-N'-(2-hydroxybenzylidene)-2-oxoacetohydrazide
CID 135457596
N'-[(E)-(2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647875
N-benzyl-4-[2-(2-hydroxybenzylidene)hydrazino]-4-oxobutanamide
CID 135401421
N'-(2-Hydroxybenzylidene)-2-(4-methyl-1-piperazinyl)acetohydrazide
CID 135533972
N-[(2-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 251902
N'-[(E)-(3-hydroxyphenyl)methylidene]-2-oxopiperidine-3-carbohydrazide
CID 9663001
N'-[(E)-(2-hydroxyphenyl)methylidene]-2-oxopiperidine-3-carbohydrazide
CID 135517147
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135723720
Acetic acid, cyano-, salicylidenehydrazide
CID 135455293
2,4-Piperidinedione, 3,3-diethyl-1-((o-hydroxybenzylidene)amino)-5-methyl-
CID 135765144
[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 135573466

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxyphenyl)methylideneamino]-N-(2-methylpropyl)propanediamide?
The IUPAC name of N'-[(2-hydroxyphenyl)methylideneamino]-N-(2-methylpropyl)propanediamide (CID 2250700) is N'-[(2-hydroxyphenyl)methylideneamino]-N-(2-methylpropyl)propanediamide.
What is the SMILES notation for N'-[(2-hydroxyphenyl)methylideneamino]-N-(2-methylpropyl)propanediamide?
The canonical SMILES for N'-[(2-hydroxyphenyl)methylideneamino]-N-(2-methylpropyl)propanediamide is CC(C)CNC(=O)CC(=O)NN=Cc1ccccc1O.
What is the InChIKey of N'-[(2-hydroxyphenyl)methylideneamino]-N-(2-methylpropyl)propanediamide?
The InChIKey is FRGSVONETFBTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(2)8-15-13(19)7-14(20)17-16-9-11-5-3-4-6-12(11)18/h3-6,9-10,18H,7-8H2,1-2H3,(H,15,19)(H,17,20).
What are the key properties of N'-[(2-hydroxyphenyl)methylideneamino]-N-(2-methylpropyl)propanediamide?
N'-[(2-hydroxyphenyl)methylideneamino]-N-(2-methylpropyl)propanediamide has a molecular weight of 277.32 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxyphenyl)methylideneamino]-N-(2-methylpropyl)propanediamide is sourced from PubChem (CID 2250700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).