(Z)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide

C18H17N3O4 — CID 135549626

IUPAC(Z)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C18H17N3O4/c22-15-8-7-14(16(23)10-15)11-20-21-18(25)12-19-17(24)9-6-13-4-2-1-3-5-13/h1-11,22-23H,12H2,(H,19,24)(H,21,25)/b9-6-,20-11+
InChIKeyWSIQUHMTOGAROP-LAKPCLNZSA-N
MW339.35 g/mol
LogP1.38
Rot. Bonds6

About (Z)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide

(Z)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 135549626) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is (Z)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID135549626
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name(Z)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C18H17N3O4/c22-15-8-7-14(16(23)10-15)11-20-21-18(25)12-19-17(24)9-6-13-4-2-1-3-5-13/h1-11,22-23H,12H2,(H,19,24)(H,21,25)/b9-6-,20-11+
InChIKeyWSIQUHMTOGAROP-LAKPCLNZSA-N
XLogP1.38
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide with MolForge

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Related Compounds

N'~1~,N'~2~-bis(2,4-dihydroxybenzylidene)ethanedihydrazide
CID 135576680
N-[1-(2,4-Dihydroxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-propionamide
CID 135650458
(2E)-2-benzylidene-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-4-hydroxybutanehydrazide
CID 135517036
(2E)-3-(2-Methoxyphenyl)-N-({N'-[(E)-(4-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)prop-2-enamide
CID 9642078
N-[2-[2-[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 135460491
N-{6-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazinyl]-6-oxohexyl}benzamide
CID 135517038
(Z)-N-[2-[2-[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 135549592
(Z)-N-(2-((E)-2-(2,4-dihydroxybenzylidene)hydrazinyl)-2-oxoethyl)-3-(2-methoxyphenyl)acrylamide
CID 135549638
(Z)-N-(2-((E)-2-(1-(2,4-dimethoxyphenyl)ethylidene)hydrazinyl)-2-oxoethyl)-3-(2-methoxyphenyl)acrylamide
CID 9699488
(Z)-N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenyl-2-propenamide
CID 9699491
(Z)-N-(2-((E)-2-(1-(2,4-dimethoxyphenyl)ethylidene)hydrazinyl)-2-oxoethyl)-3-(4-methoxyphenyl)acrylamide
CID 9699492
N-({N'-[(E)-(2,4-Dihydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-2,2-diphenylacetamide
CID 135419713

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide (CID 135549626) is (Z)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide is O=C(/C=C\c1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of (Z)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is WSIQUHMTOGAROP-LAKPCLNZSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-15-8-7-14(16(23)10-15)11-20-21-18(25)12-19-17(24)9-6-13-4-2-1-3-5-13/h1-11,22-23H,12H2,(H,19,24)(H,21,25)/b9-6-,20-11+.
What are the key properties of (Z)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
(Z)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 339.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 135549626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).