3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide

C16H19N3O — CID 177345259

IUPAC3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
SMILESCN(C)Cc1cccc(-c2cccc(C(=O)NN)c2)c1
InChIInChI=1S/C16H19N3O/c1-19(2)11-12-5-3-6-13(9-12)14-7-4-8-15(10-14)16(20)18-17/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyHRQPEWAEYCIVOZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.02
Rot. Bonds4

About 3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide

3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide (PubChem CID 177345259) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
PubChem CID177345259
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
SMILESCN(C)Cc1cccc(-c2cccc(C(=O)NN)c2)c1
InChIInChI=1S/C16H19N3O/c1-19(2)11-12-5-3-6-13(9-12)14-7-4-8-15(10-14)16(20)18-17/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyHRQPEWAEYCIVOZ-UHFFFAOYSA-N
XLogP2.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

3-(diethylaminomethyl)benzohydrazide
CID 63571195
3-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573622
3-[[butyl(methyl)amino]methyl]benzohydrazide
CID 63569748
3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide
CID 63572517
3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide
CID 113476702
N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide
CID 84613744
N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide
CID 84613738
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
N-[2-(dimethylamino)ethyl]-3-(3-ethylphenyl)benzamide
CID 70827081
N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide
CID 58597716
N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride
CID 119641082
3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide
CID 119041971

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide?
The IUPAC name of 3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide (CID 177345259) is 3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide is CN(C)Cc1cccc(-c2cccc(C(=O)NN)c2)c1.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide?
The InChIKey is HRQPEWAEYCIVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(2)11-12-5-3-6-13(9-12)14-7-4-8-15(10-14)16(20)18-17/h3-10H,11,17H2,1-2H3,(H,18,20).
What are the key properties of 3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide?
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide has a molecular weight of 269.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide is sourced from PubChem (CID 177345259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).