N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide

C20H23N3O4 — CID 135411908

IUPACN'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
SMILESCCOc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)ccc1O
InChIInChI=1S/C20H23N3O4/c1-2-27-18-12-16(8-9-17(18)24)14-22-23-20(26)13-19(25)21-11-10-15-6-4-3-5-7-15/h3-9,12,14,24H,2,10-11,13H2,1H3,(H,21,25)(H,23,26)/b22-14-
InChIKeyXQGWLSVQRZHGEV-HMAPJEAMSA-N
MW369.42 g/mol
LogP1.99
Rot. Bonds9

About N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide

N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide (PubChem CID 135411908) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide.

Molecular Properties

Compound NameN'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
PubChem CID135411908
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
SMILESCCOc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)ccc1O
InChIInChI=1S/C20H23N3O4/c1-2-27-18-12-16(8-9-17(18)24)14-22-23-20(26)13-19(25)21-11-10-15-6-4-3-5-7-15/h3-9,12,14,24H,2,10-11,13H2,1H3,(H,21,25)(H,23,26)/b22-14-
InChIKeyXQGWLSVQRZHGEV-HMAPJEAMSA-N
XLogP1.99
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N-[2-[2-[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 135549613
2-(4-Allyloxy-benzylidene-hydrazinocarbonyl)-N-cyclohexyl-acetamide
CID 9591587
N-Cyclohexyl-2-(4-hydroxy-3-methoxy-benzylidene-hydrazinocarbonyl)-acetamide
CID 135411910
2-(1-azepanyl)-N'-(4-hydroxy-3-methoxybenzylidene)-2-oxoacetohydrazide
CID 135457602
Piperidin-1-yl-acetic acid (3-ethoxy-4-hydroxy-benzylidene)-hydrazide
CID 135537550
N-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-propionamide
CID 135549589
1-cyclohexyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135616073
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647873
N-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-2-m-tolyloxy-acetamide
CID 135648074
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(3-methoxybenzylidene)hydrazino]-3-oxopropanamide
CID 5335751
4-[2-(3-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-oxopropanoyl)carbonohydrazonoyl]benzoic acid
CID 5336008
N'-(3-hydroxy-4-methoxybenzylidene)-2-oxo-4-phenyl-3-pyrrolidinecarbohydrazide
CID 5904739

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
The IUPAC name of N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide (CID 135411908) is N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide.
What is the SMILES notation for N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
The canonical SMILES for N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide is CCOc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)ccc1O.
What is the InChIKey of N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
The InChIKey is XQGWLSVQRZHGEV-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-2-27-18-12-16(8-9-17(18)24)14-22-23-20(26)13-19(25)21-11-10-15-6-4-3-5-7-15/h3-9,12,14,24H,2,10-11,13H2,1H3,(H,21,25)(H,23,26)/b22-14-.
What are the key properties of N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide has a molecular weight of 369.42 g/mol, XLogP of 1.99, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide is sourced from PubChem (CID 135411908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).