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

C19H21N3O4 — CID 155567996

IUPAC(E)-N-[4-(3-hydrazinyl-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc(CCC(=O)NN)cc2)ccc1O
InChIInChI=1S/C19H21N3O4/c1-26-17-12-14(4-9-16(17)23)6-10-18(24)21-15-7-2-13(3-8-15)5-11-19(25)22-20/h2-4,6-10,12,23H,5,11,20H2,1H3,(H,21,24)(H,22,25)/b10-6+
InChIKeyXZCGULOLQGMQBN-UXBLZVDNSA-N
MW355.39 g/mol
LogP1.98
Rot. Bonds7

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

(E)-N-[4-(3-hydrazinyl-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (PubChem CID 155567996) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (E)-N-[4-(3-hydrazinyl-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(3-hydrazinyl-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
PubChem CID155567996
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name(E)-N-[4-(3-hydrazinyl-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc(CCC(=O)NN)cc2)ccc1O
InChIInChI=1S/C19H21N3O4/c1-26-17-12-14(4-9-16(17)23)6-10-18(24)21-15-7-2-13(3-8-15)5-11-19(25)22-20/h2-4,6-10,12,23H,5,11,20H2,1H3,(H,21,24)(H,22,25)/b10-6+
InChIKeyXZCGULOLQGMQBN-UXBLZVDNSA-N
XLogP1.98
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.98
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-(3-hydrazinyl-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(3-hydrazinyl-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (CID 155567996) is (E)-N-[4-(3-hydrazinyl-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(3-hydrazinyl-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(3-hydrazinyl-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccc(CCC(=O)NN)cc2)ccc1O.
What is the InChIKey of (E)-N-[4-(3-hydrazinyl-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The InChIKey is XZCGULOLQGMQBN-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-26-17-12-14(4-9-16(17)23)6-10-18(24)21-15-7-2-13(3-8-15)5-11-19(25)22-20/h2-4,6-10,12,23H,5,11,20H2,1H3,(H,21,24)(H,22,25)/b10-6+.
What are the key properties of (E)-N-[4-(3-hydrazinyl-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
(E)-N-[4-(3-hydrazinyl-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide has a molecular weight of 355.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(3-hydrazinyl-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 155567996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).