N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide

C20H24N2O5 — CID 4808541

IUPACN'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cc2ccc(C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C20H24N2O5/c1-12-6-7-14(8-13(12)2)9-18(23)21-22-20(24)15-10-16(25-3)19(27-5)17(11-15)26-4/h6-8,10-11H,9H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyGRVZWYRRFZDGAJ-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.33
Rot. Bonds6

About N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide

N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide (PubChem CID 4808541) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
PubChem CID4808541
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cc2ccc(C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C20H24N2O5/c1-12-6-7-14(8-13(12)2)9-18(23)21-22-20(24)15-10-16(25-3)19(27-5)17(11-15)26-4/h6-8,10-11H,9H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyGRVZWYRRFZDGAJ-UHFFFAOYSA-N
XLogP2.33
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2117359
1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
CID 3801032
N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide
CID 34250355
N'-(3-bromo-4-methylbenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4509539
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
N'-[2-(2,3-dimethylanilino)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 9080904
3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 9399555
N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 26980277
N'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide
CID 46651699
N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110787367
3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide
CID 2117105
4-hexoxy-N'-[2-(3,4,5-trimethoxyphenyl)acetyl]benzohydrazide
CID 24677365

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide (CID 4808541) is N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNC(=O)Cc2ccc(C)c(C)c2)cc(OC)c1OC.
What is the InChIKey of N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide?
The InChIKey is GRVZWYRRFZDGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-12-6-7-14(8-13(12)2)9-18(23)21-22-20(24)15-10-16(25-3)19(27-5)17(11-15)26-4/h6-8,10-11H,9H2,1-5H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide?
N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide has a molecular weight of 372.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 4808541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).