4-[(3,4-dimethoxyanilino)methyl]benzohydrazide

C16H19N3O3 — CID 70810026

IUPAC4-[(3,4-dimethoxyanilino)methyl]benzohydrazide
SMILESCOc1ccc(NCc2ccc(C(=O)NN)cc2)cc1OC
InChIInChI=1S/C16H19N3O3/c1-21-14-8-7-13(9-15(14)22-2)18-10-11-3-5-12(6-4-11)16(20)19-17/h3-9,18H,10,17H2,1-2H3,(H,19,20)
InChIKeyRRJCUQZPUYTLAX-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.92
Rot. Bonds6

About 4-[(3,4-dimethoxyanilino)methyl]benzohydrazide

4-[(3,4-dimethoxyanilino)methyl]benzohydrazide (PubChem CID 70810026) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyanilino)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(3,4-dimethoxyanilino)methyl]benzohydrazide
PubChem CID70810026
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-[(3,4-dimethoxyanilino)methyl]benzohydrazide
SMILESCOc1ccc(NCc2ccc(C(=O)NN)cc2)cc1OC
InChIInChI=1S/C16H19N3O3/c1-21-14-8-7-13(9-15(14)22-2)18-10-11-3-5-12(6-4-11)16(20)19-17/h3-9,18H,10,17H2,1-2H3,(H,19,20)
InChIKeyRRJCUQZPUYTLAX-UHFFFAOYSA-N
XLogP1.92
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxyphenyl)benzamide
CID 10110195
N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide
CID 142928445
4-[(3-fluoro-4-methoxyanilino)methyl]benzamide
CID 43380800
4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide
CID 114838796
1-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]ethanone
CID 115576828
4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide
CID 59736811
N-[2-amino-5-(3-amino-3-oxoprop-1-enyl)phenyl]-4-[(3,4-dimethoxyanilino)methyl]benzamide
CID 66893261
methyl 4-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272146
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135
N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline
CID 79969085
4-[(3,4-dimethoxyanilino)methyl]-N-[5-[(dimethylamino)methyl]-2-nitrophenyl]benzamide
CID 70810004
N-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190530

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyanilino)methyl]benzohydrazide?
The IUPAC name of 4-[(3,4-dimethoxyanilino)methyl]benzohydrazide (CID 70810026) is 4-[(3,4-dimethoxyanilino)methyl]benzohydrazide.
What is the SMILES notation for 4-[(3,4-dimethoxyanilino)methyl]benzohydrazide?
The canonical SMILES for 4-[(3,4-dimethoxyanilino)methyl]benzohydrazide is COc1ccc(NCc2ccc(C(=O)NN)cc2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyanilino)methyl]benzohydrazide?
The InChIKey is RRJCUQZPUYTLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-14-8-7-13(9-15(14)22-2)18-10-11-3-5-12(6-4-11)16(20)19-17/h3-9,18H,10,17H2,1-2H3,(H,19,20).
What are the key properties of 4-[(3,4-dimethoxyanilino)methyl]benzohydrazide?
4-[(3,4-dimethoxyanilino)methyl]benzohydrazide has a molecular weight of 301.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyanilino)methyl]benzohydrazide is sourced from PubChem (CID 70810026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).