3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide

C17H18N2O3 — CID 131849552

IUPAC3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide
SMILESCOc1ccc(C=CC(=O)NN)cc1OCc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-21-15-9-7-13(8-10-17(20)19-18)11-16(15)22-12-14-5-3-2-4-6-14/h2-11H,12,18H2,1H3,(H,19,20)
InChIKeyHBPKXUNZPVPJFS-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.28
Rot. Bonds6

About 3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide

3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide (PubChem CID 131849552) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide
PubChem CID131849552
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide
SMILESCOc1ccc(C=CC(=O)NN)cc1OCc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-21-15-9-7-13(8-10-17(20)19-18)11-16(15)22-12-14-5-3-2-4-6-14/h2-11H,12,18H2,1H3,(H,19,20)
InChIKeyHBPKXUNZPVPJFS-UHFFFAOYSA-N
XLogP2.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enehydrazide
CID 91685038
(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6366846
(E)-N-benzyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188981
(E)-3-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)prop-2-enehydrazide
CID 91684963
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one
CID 22246671
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-one
CID 12681944
(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188946
(E)-N-cyclopentyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 51058234
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188948
(E)-N-cyclohexyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188929

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide?
The IUPAC name of 3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide (CID 131849552) is 3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide.
What is the SMILES notation for 3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide?
The canonical SMILES for 3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide is COc1ccc(C=CC(=O)NN)cc1OCc1ccccc1.
What is the InChIKey of 3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide?
The InChIKey is HBPKXUNZPVPJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-21-15-9-7-13(8-10-17(20)19-18)11-16(15)22-12-14-5-3-2-4-6-14/h2-11H,12,18H2,1H3,(H,19,20).
What are the key properties of 3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide?
3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide has a molecular weight of 298.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide is sourced from PubChem (CID 131849552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).