2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide

C19H23N3O5 — CID 55350938

IUPAC2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H23N3O5/c1-25-15-7-5-14(6-8-15)20-12-19(24)22-21-18(23)11-13-4-9-16(26-2)17(10-13)27-3/h4-10,20H,11-12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYTTCGUCQNGBYLM-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.51
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide

2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide (PubChem CID 55350938) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide
PubChem CID55350938
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H23N3O5/c1-25-15-7-5-14(6-8-15)20-12-19(24)22-21-18(23)11-13-4-9-16(26-2)17(10-13)27-3/h4-10,20H,11-12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYTTCGUCQNGBYLM-UHFFFAOYSA-N
XLogP1.51
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
CID 55361417
N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
CID 799227
2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 9432559
2-(3,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82725203
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999287
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)acetamide
CID 37465407
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 27793346
2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498248
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 134307216
N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
CID 109009183
2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide
CID 110288813

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide (CID 55350938) is 2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide is COc1ccc(NCC(=O)NNC(=O)Cc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide?
The InChIKey is YTTCGUCQNGBYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-25-15-7-5-14(6-8-15)20-12-19(24)22-21-18(23)11-13-4-9-16(26-2)17(10-13)27-3/h4-10,20H,11-12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide?
2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide has a molecular weight of 373.41 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide is sourced from PubChem (CID 55350938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).