N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide

C17H18N2O6 — CID 695831

IUPACN'-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)/C=C/c2ccco2)cc(OC)c1OC
InChIInChI=1S/C17H18N2O6/c1-22-13-9-11(10-14(23-2)16(13)24-3)17(21)19-18-15(20)7-6-12-5-4-8-25-12/h4-10H,1-3H3,(H,18,20)(H,19,21)/b7-6+
InChIKeyZLMIJUSPJSTCHY-VOTSOKGWSA-N
MW346.34 g/mol
LogP1.78
Rot. Bonds6

About N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide

N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide (PubChem CID 695831) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide
PubChem CID695831
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC NameN'-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)/C=C/c2ccco2)cc(OC)c1OC
InChIInChI=1S/C17H18N2O6/c1-22-13-9-11(10-14(23-2)16(13)24-3)17(21)19-18-15(20)7-6-12-5-4-8-25-12/h4-10H,1-3H3,(H,18,20)(H,19,21)/b7-6+
InChIKeyZLMIJUSPJSTCHY-VOTSOKGWSA-N
XLogP1.78
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(furan-2-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide 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

Decimemide
CID 26929
3,4,5-Trimethoxybenzohydrazide
CID 76793
N'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide
CID 916392
N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 2476387
N'-(3-cyclohexen-1-ylmethylene)-3,4,5-triethoxybenzohydrazide
CID 9656093
5-[(2-Methoxy-4-propylphenoxy)methyl]furan-2-carbohydrazide
CID 950027
Benzoic acid, 3,4,5-trimethoxy-, 2-isopropylhydrazide
CID 27391
N''-p-toluoyl-2,3-dihydro-1,4-benzodioxin-6-carbohydrazide
CID 2114814
1-(Furan-2-ylmethyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea
CID 2211225
6-{[2-(3,4,5-Trimethoxybenzoyl)hydrazino]carbonyl}-3-cyclohexene-1-carboxylic acid
CID 3627811
N'-cyclopentylidene-3,4,5-triethoxybenzohydrazide
CID 3635563
3,4,5-trimethoxy-N'-[(1E)-1-methyl-2-phenylethylidene]benzohydrazide
CID 5947343

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide (CID 695831) is N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNC(=O)/C=C/c2ccco2)cc(OC)c1OC.
What is the InChIKey of N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide?
The InChIKey is ZLMIJUSPJSTCHY-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H18N2O6/c1-22-13-9-11(10-14(23-2)16(13)24-3)17(21)19-18-15(20)7-6-12-5-4-8-25-12/h4-10H,1-3H3,(H,18,20)(H,19,21)/b7-6+.
What are the key properties of N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide?
N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide has a molecular weight of 346.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 695831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).