N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide

C18H18N2O5 — CID 118712438

IUPACN'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
SMILESCOc1cc(/C=C/C(=O)NNC(=O)c2ccccc2)cc(OC)c1O
InChIInChI=1S/C18H18N2O5/c1-24-14-10-12(11-15(25-2)17(14)22)8-9-16(21)19-20-18(23)13-6-4-3-5-7-13/h3-11,22H,1-2H3,(H,19,21)(H,20,23)/b9-8+
InChIKeyNGRUWMBIDJTNLR-CMDGGOBGSA-N
MW342.35 g/mol
LogP1.88
Rot. Bonds5

About N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide

N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide (PubChem CID 118712438) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
PubChem CID118712438
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
SMILESCOc1cc(/C=C/C(=O)NNC(=O)c2ccccc2)cc(OC)c1O
InChIInChI=1S/C18H18N2O5/c1-24-14-10-12(11-15(25-2)17(14)22)8-9-16(21)19-20-18(23)13-6-4-3-5-7-13/h3-11,22H,1-2H3,(H,19,21)(H,20,23)/b9-8+
InChIKeyNGRUWMBIDJTNLR-CMDGGOBGSA-N
XLogP1.88
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide 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

4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 7948325
N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4789480
3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 6118091
(2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 127042887
4-methoxy-N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]phenyl]benzamide
CID 2915510
(E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
CID 24637532
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 923611
[2-[(E)-3-[2-(4-methoxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126040700
4-tert-butyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 923514
N'-[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoyl]-4-ethoxybenzohydrazide
CID 9480415
4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4219280

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide (CID 118712438) is N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide is COc1cc(/C=C/C(=O)NNC(=O)c2ccccc2)cc(OC)c1O.
What is the InChIKey of N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is NGRUWMBIDJTNLR-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-24-14-10-12(11-15(25-2)17(14)22)8-9-16(21)19-20-18(23)13-6-4-3-5-7-13/h3-11,22H,1-2H3,(H,19,21)(H,20,23)/b9-8+.
What are the key properties of N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide?
N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 342.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 118712438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).