N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide

C13H17N3O3 — CID 135531764

IUPACN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide
SMILESCC(C)NC(=O)CC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C13H17N3O3/c1-9(2)15-12(18)7-13(19)16-14-8-10-5-3-4-6-11(10)17/h3-6,8-9,17H,7H2,1-2H3,(H,15,18)(H,16,19)/b14-8+
InChIKeyLKLBVFNZPKUETP-RIYZIHGNSA-N
MW263.30 g/mol
LogP0.76
Rot. Bonds5

About N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide

N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide (PubChem CID 135531764) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide
PubChem CID135531764
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide
SMILESCC(C)NC(=O)CC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C13H17N3O3/c1-9(2)15-12(18)7-13(19)16-14-8-10-5-3-4-6-11(10)17/h3-6,8-9,17H,7H2,1-2H3,(H,15,18)(H,16,19)/b14-8+
InChIKeyLKLBVFNZPKUETP-RIYZIHGNSA-N
XLogP0.76
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.76
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

3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135688184
N-(3,4-dimethylphenyl)-N'-[(2-hydroxyphenyl)methylideneamino]propanediamide
CID 4554672
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 135627903
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide
CID 135747209
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 136861998

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide?
The IUPAC name of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide (CID 135531764) is N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide.
What is the SMILES notation for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide?
The canonical SMILES for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide is CC(C)NC(=O)CC(=O)N/N=C/c1ccccc1O.
What is the InChIKey of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide?
The InChIKey is LKLBVFNZPKUETP-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9(2)15-12(18)7-13(19)16-14-8-10-5-3-4-6-11(10)17/h3-6,8-9,17H,7H2,1-2H3,(H,15,18)(H,16,19)/b14-8+.
What are the key properties of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide?
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide has a molecular weight of 263.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide is sourced from PubChem (CID 135531764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).