(Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide

C20H21N3O5 — CID 136714331

IUPAC(Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C\C(=O)NCC(=O)N/N=C\c2cccc(OC)c2O)cc1
InChIInChI=1S/C20H21N3O5/c1-27-16-9-6-14(7-10-16)8-11-18(24)21-13-19(25)23-22-12-15-4-3-5-17(28-2)20(15)26/h3-12,26H,13H2,1-2H3,(H,21,24)(H,23,25)/b11-8-,22-12-
InChIKeyBYGCLAMZQZXBEU-HVSIVFDUSA-N
MW383.40 g/mol
LogP1.69
Rot. Bonds8

About (Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide

(Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 136714331) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is (Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID136714331
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name(Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C\C(=O)NCC(=O)N/N=C\c2cccc(OC)c2O)cc1
InChIInChI=1S/C20H21N3O5/c1-27-16-9-6-14(7-10-16)8-11-18(24)21-13-19(25)23-22-12-15-4-3-5-17(28-2)20(15)26/h3-12,26H,13H2,1-2H3,(H,21,24)(H,23,25)/b11-8-,22-12-
InChIKeyBYGCLAMZQZXBEU-HVSIVFDUSA-N
XLogP1.69
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'}

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Related Compounds

N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 135822031
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3977459
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 135549613
4-[(Z)-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]hydrazinylidene]methyl]benzoate
CID 6029436
2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136721150
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3762152
N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 135648147
3-bromo-N-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3871550
(E)-3-(4-methoxyphenyl)-N-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
CID 46495273
2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135560371
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135541691
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]hexanamide
CID 135458849

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 136714331) is (Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C\C(=O)NCC(=O)N/N=C\c2cccc(OC)c2O)cc1.
What is the InChIKey of (Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is BYGCLAMZQZXBEU-HVSIVFDUSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-27-16-9-6-14(7-10-16)8-11-18(24)21-13-19(25)23-22-12-15-4-3-5-17(28-2)20(15)26/h3-12,26H,13H2,1-2H3,(H,21,24)(H,23,25)/b11-8-,22-12-.
What are the key properties of (Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide?
(Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 383.40 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 136714331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).