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

C20H25N3O5 — CID 9080904

IUPACN'-[2-(2,3-dimethylanilino)acetyl]-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CNc2cccc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C20H25N3O5/c1-12-7-6-8-15(13(12)2)21-11-18(24)22-23-20(25)14-9-16(26-3)19(28-5)17(10-14)27-4/h6-10,21H,11H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyQAKPOVOEYQJLTE-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.20
Rot. Bonds7

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

N'-[2-(2,3-dimethylanilino)acetyl]-3,4,5-trimethoxybenzohydrazide (PubChem CID 9080904) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylanilino)acetyl]-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylanilino)acetyl]-3,4,5-trimethoxybenzohydrazide
PubChem CID9080904
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC NameN'-[2-(2,3-dimethylanilino)acetyl]-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CNc2cccc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C20H25N3O5/c1-12-7-6-8-15(13(12)2)21-11-18(24)22-23-20(25)14-9-16(26-3)19(28-5)17(10-14)27-4/h6-10,21H,11H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyQAKPOVOEYQJLTE-UHFFFAOYSA-N
XLogP2.20
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099909
1-(2,3-dimethylphenyl)-3-[[2-(2-methoxyanilino)acetyl]amino]thiourea
CID 8617902
N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 4808541
1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
CID 3801032
methyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate
CID 17416979
3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 9399555
N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 3220749
3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide
CID 31301682
2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51253107
N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2117359
3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide
CID 2117105
2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26525399

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylanilino)acetyl]-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-[2-(2,3-dimethylanilino)acetyl]-3,4,5-trimethoxybenzohydrazide (CID 9080904) is N'-[2-(2,3-dimethylanilino)acetyl]-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylanilino)acetyl]-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylanilino)acetyl]-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNC(=O)CNc2cccc(C)c2C)cc(OC)c1OC.
What is the InChIKey of N'-[2-(2,3-dimethylanilino)acetyl]-3,4,5-trimethoxybenzohydrazide?
The InChIKey is QAKPOVOEYQJLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-12-7-6-8-15(13(12)2)21-11-18(24)22-23-20(25)14-9-16(26-3)19(28-5)17(10-14)27-4/h6-10,21H,11H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2,3-dimethylanilino)acetyl]-3,4,5-trimethoxybenzohydrazide?
N'-[2-(2,3-dimethylanilino)acetyl]-3,4,5-trimethoxybenzohydrazide has a molecular weight of 387.44 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dimethylanilino)acetyl]-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 9080904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).