N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide

C19H20N2O4 — CID 923611

IUPACN'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide
SMILESCOc1ccc(/C=C/C(=O)NNC(=O)c2ccccc2C)cc1OC
InChIInChI=1S/C19H20N2O4/c1-13-6-4-5-7-15(13)19(23)21-20-18(22)11-9-14-8-10-16(24-2)17(12-14)25-3/h4-12H,1-3H3,(H,20,22)(H,21,23)/b11-9+
InChIKeyFTHJPPCMARQWGM-PKNBQFBNSA-N
MW340.38 g/mol
LogP2.49
Rot. Bonds5

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

N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide (PubChem CID 923611) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide
PubChem CID923611
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide
SMILESCOc1ccc(/C=C/C(=O)NNC(=O)c2ccccc2C)cc1OC
InChIInChI=1S/C19H20N2O4/c1-13-6-4-5-7-15(13)19(23)21-20-18(22)11-9-14-8-10-16(24-2)17(12-14)25-3/h4-12H,1-3H3,(H,20,22)(H,21,23)/b11-9+
InChIKeyFTHJPPCMARQWGM-PKNBQFBNSA-N
XLogP2.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide 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

N'-[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 9220756
N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 9220813
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
(E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide
CID 51149237
2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
CID 9220913
ethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 1219697
2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide
CID 76859483
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998
5-[(E)-3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]-2-methoxybenzenesulfonamide
CID 47035309
(E)-3-(3,4-dimethoxyphenyl)-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 6233416
2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 35929315
(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6366846

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide?
The IUPAC name of N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide (CID 923611) is N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide?
The canonical SMILES for N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide is COc1ccc(/C=C/C(=O)NNC(=O)c2ccccc2C)cc1OC.
What is the InChIKey of N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide?
The InChIKey is FTHJPPCMARQWGM-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-6-4-5-7-15(13)19(23)21-20-18(22)11-9-14-8-10-16(24-2)17(12-14)25-3/h4-12H,1-3H3,(H,20,22)(H,21,23)/b11-9+.
What are the key properties of N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide?
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide has a molecular weight of 340.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide is sourced from PubChem (CID 923611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).