(E)-N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

C18H19N3O4 — CID 155521515

IUPAC(E)-N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc(CC(=O)NN)cc2)ccc1O
InChIInChI=1S/C18H19N3O4/c1-25-16-10-12(4-8-15(16)22)5-9-17(23)20-14-6-2-13(3-7-14)11-18(24)21-19/h2-10,22H,11,19H2,1H3,(H,20,23)(H,21,24)/b9-5+
InChIKeyQWPLWKBEPSFENZ-WEVVVXLNSA-N
MW341.37 g/mol
LogP1.59
Rot. Bonds6

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

(E)-N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (PubChem CID 155521515) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (E)-N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
PubChem CID155521515
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(E)-N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc(CC(=O)NN)cc2)ccc1O
InChIInChI=1S/C18H19N3O4/c1-25-16-10-12(4-8-15(16)22)5-9-17(23)20-14-6-2-13(3-7-14)11-18(24)21-19/h2-10,22H,11,19H2,1H3,(H,20,23)(H,21,24)/b9-5+
InChIKeyQWPLWKBEPSFENZ-WEVVVXLNSA-N
XLogP1.59
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (CID 155521515) is (E)-N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccc(CC(=O)NN)cc2)ccc1O.
What is the InChIKey of (E)-N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The InChIKey is QWPLWKBEPSFENZ-WEVVVXLNSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-25-16-10-12(4-8-15(16)22)5-9-17(23)20-14-6-2-13(3-7-14)11-18(24)21-19/h2-10,22H,11,19H2,1H3,(H,20,23)(H,21,24)/b9-5+.
What are the key properties of (E)-N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
(E)-N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide has a molecular weight of 341.37 g/mol, XLogP of 1.59, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 155521515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).