N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide

C17H17N3O3 — CID 5024067

IUPACN'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)NN=Cc1cccc(O)c1
InChIInChI=1S/C17H17N3O3/c1-12-5-2-3-8-15(12)19-16(22)10-17(23)20-18-11-13-6-4-7-14(21)9-13/h2-9,11,21H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyYLMWGWPYJWOYDX-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.18
Rot. Bonds5

About N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide

N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide (PubChem CID 5024067) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide.

Molecular Properties

Compound NameN'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
PubChem CID5024067
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)NN=Cc1cccc(O)c1
InChIInChI=1S/C17H17N3O3/c1-12-5-2-3-8-15(12)19-16(22)10-17(23)20-18-11-13-6-4-7-14(21)9-13/h2-9,11,21H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyYLMWGWPYJWOYDX-UHFFFAOYSA-N
XLogP2.18
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 135821509
N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3513929
N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide
CID 3421421
N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide
CID 3655252
N-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide
CID 4299291
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 135717008
1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea
CID 5420606
N'-[(4-chloro-3-nitrophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3896969
2-(2,5-dimethylphenyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 126364736
N'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 5041906
N'-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-N-(2-methoxyphenyl)propanediamide
CID 135625822
N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 5033974

Frequently Asked Questions

What is the IUPAC name of N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide?
The IUPAC name of N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide (CID 5024067) is N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide.
What is the SMILES notation for N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide?
The canonical SMILES for N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide is Cc1ccccc1NC(=O)CC(=O)NN=Cc1cccc(O)c1.
What is the InChIKey of N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide?
The InChIKey is YLMWGWPYJWOYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12-5-2-3-8-15(12)19-16(22)10-17(23)20-18-11-13-6-4-7-14(21)9-13/h2-9,11,21H,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide?
N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide has a molecular weight of 311.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide is sourced from PubChem (CID 5024067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).