3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide

C19H20N2O4 — CID 9496126

IUPAC3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)/C=C/c2ccccc2C)c1
InChIInChI=1S/C19H20N2O4/c1-13-6-4-5-7-14(13)8-9-18(22)20-21-19(23)15-10-16(24-2)12-17(11-15)25-3/h4-12H,1-3H3,(H,20,22)(H,21,23)/b9-8+
InChIKeyQCVUNGRLXFTHGS-CMDGGOBGSA-N
MW340.38 g/mol
LogP2.49
Rot. Bonds5

About 3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide

3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide (PubChem CID 9496126) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
PubChem CID9496126
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)/C=C/c2ccccc2C)c1
InChIInChI=1S/C19H20N2O4/c1-13-6-4-5-7-14(13)8-9-18(22)20-21-19(23)15-10-16(24-2)12-17(11-15)25-3/h4-12H,1-3H3,(H,20,22)(H,21,23)/b9-8+
InChIKeyQCVUNGRLXFTHGS-CMDGGOBGSA-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 3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)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-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990
N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314775
2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9339631
N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4789480
4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9156146
N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide
CID 4813321
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 2672384
N'-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide
CID 9084759
1-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]-3-phenylthiourea
CID 24644060
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
[2-[(E)-3-[2-(4-methoxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126040700
N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 118712438

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide (CID 9496126) is 3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)/C=C/c2ccccc2C)c1.
What is the InChIKey of 3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is QCVUNGRLXFTHGS-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-6-4-5-7-14(13)8-9-18(22)20-21-19(23)15-10-16(24-2)12-17(11-15)25-3/h4-12H,1-3H3,(H,20,22)(H,21,23)/b9-8+.
What are the key properties of 3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide?
3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide 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 3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 9496126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).