N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide

C18H18N2O4 — CID 4789480

IUPACN'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
SMILESCOc1cccc(C=CC(=O)NNC(=O)c2ccccc2)c1OC
InChIInChI=1S/C18H18N2O4/c1-23-15-10-6-9-13(17(15)24-2)11-12-16(21)19-20-18(22)14-7-4-3-5-8-14/h3-12H,1-2H3,(H,19,21)(H,20,22)
InChIKeyZHIHXHAFDZVJMZ-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.18
Rot. Bonds5

About N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide

N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide (PubChem CID 4789480) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
PubChem CID4789480
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
SMILESCOc1cccc(C=CC(=O)NNC(=O)c2ccccc2)c1OC
InChIInChI=1S/C18H18N2O4/c1-23-15-10-6-9-13(17(15)24-2)11-12-16(21)19-20-18(22)14-7-4-3-5-8-14/h3-12H,1-2H3,(H,19,21)(H,20,22)
InChIKeyZHIHXHAFDZVJMZ-UHFFFAOYSA-N
XLogP2.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.18
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'}

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Related Compounds

N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 9334106
4-methoxy-N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990
2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide
CID 4922573
(E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163798
N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 118712438
1-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-3-(4-fluorophenyl)thiourea
CID 9469672
(E)-3-(2,3-dimethoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 2677492
(E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide
CID 2431859
N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide
CID 5020772
(E)-N-(4-acetamidophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7945153
(E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928435
[2-[(E)-3-[2-(4-methoxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126040700

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide (CID 4789480) is N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide is COc1cccc(C=CC(=O)NNC(=O)c2ccccc2)c1OC.
What is the InChIKey of N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is ZHIHXHAFDZVJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-15-10-6-9-13(17(15)24-2)11-12-16(21)19-20-18(22)14-7-4-3-5-8-14/h3-12H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide?
N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 326.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 4789480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).