N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide

C19H21N3O3 — CID 135560062

IUPACN'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide
SMILESCC/C(=N\NC(=O)CCC(=O)Nc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C19H21N3O3/c1-2-17(14-8-10-16(23)11-9-14)21-22-19(25)13-12-18(24)20-15-6-4-3-5-7-15/h3-11,23H,2,12-13H2,1H3,(H,20,24)(H,22,25)/b21-17+
InChIKeyMNKOUYKZPGGBFQ-HEHNFIMWSA-N
MW339.40 g/mol
LogP3.04
Rot. Bonds7

About N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide

N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide (PubChem CID 135560062) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide.

Molecular Properties

Compound NameN'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide
PubChem CID135560062
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide
SMILESCC/C(=N\NC(=O)CCC(=O)Nc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C19H21N3O3/c1-2-17(14-8-10-16(23)11-9-14)21-22-19(25)13-12-18(24)20-15-6-4-3-5-7-15/h3-11,23H,2,12-13H2,1H3,(H,20,24)(H,22,25)/b21-17+
InChIKeyMNKOUYKZPGGBFQ-HEHNFIMWSA-N
XLogP3.04
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
CID 135721513
N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide
CID 7534633
N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3266986
N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 5141586
N-(2,5-dimethylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 135560229
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide
CID 135681181
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]hexanamide
CID 136716001
N-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 136893033
N-(2,4-dimethylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 135560053
N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide
CID 5333667
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]dodecanamide
CID 135704395
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide?
The IUPAC name of N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide (CID 135560062) is N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide.
What is the SMILES notation for N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide?
The canonical SMILES for N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide is CC/C(=N\NC(=O)CCC(=O)Nc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide?
The InChIKey is MNKOUYKZPGGBFQ-HEHNFIMWSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-17(14-8-10-16(23)11-9-14)21-22-19(25)13-12-18(24)20-15-6-4-3-5-7-15/h3-11,23H,2,12-13H2,1H3,(H,20,24)(H,22,25)/b21-17+.
What are the key properties of N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide?
N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide has a molecular weight of 339.40 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide is sourced from PubChem (CID 135560062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).