N'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide

C18H19N3O3 — CID 5041906

IUPACN'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NN=Cc2cccc(O)c2)cc1
InChIInChI=1S/C18H19N3O3/c1-13-5-7-15(8-6-13)20-17(23)9-10-18(24)21-19-12-14-3-2-4-16(22)11-14/h2-8,11-12,22H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyDKJNABFYSFBWHO-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.57
Rot. Bonds6

About N'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide

N'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide (PubChem CID 5041906) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
PubChem CID5041906
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NN=Cc2cccc(O)c2)cc1
InChIInChI=1S/C18H19N3O3/c1-13-5-7-15(8-6-13)20-17(23)9-10-18(24)21-19-12-14-3-2-4-16(22)11-14/h2-8,11-12,22H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyDKJNABFYSFBWHO-UHFFFAOYSA-N
XLogP2.57
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-N'-[(3-nitrophenyl)methylideneamino]butanediamide
CID 3524333
methyl 2-[3-[[[4-(4-methylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 3916710
N'-[(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 3300932
2-(2,5-dimethylphenyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 126364736
N-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide
CID 4299291
N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 5024067
N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 5230931
2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 6911005
N-(4-methylphenyl)-N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]butanediamide
CID 5189380
N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 3561944
N'-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 3961761
N'-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5078091

Frequently Asked Questions

What is the IUPAC name of N'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The IUPAC name of N'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide (CID 5041906) is N'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide.
What is the SMILES notation for N'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The canonical SMILES for N'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide is Cc1ccc(NC(=O)CCC(=O)NN=Cc2cccc(O)c2)cc1.
What is the InChIKey of N'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The InChIKey is DKJNABFYSFBWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-5-7-15(8-6-13)20-17(23)9-10-18(24)21-19-12-14-3-2-4-16(22)11-14/h2-8,11-12,22H,9-10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
N'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide has a molecular weight of 325.37 g/mol, XLogP of 2.57, 6 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-(4-methylphenyl)butanediamide is sourced from PubChem (CID 5041906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).