4-(dimethylamino)-N'-(2,6-dimethylphenyl)benzohydrazide

C17H21N3O — CID 127030729

IUPAC4-(dimethylamino)-N'-(2,6-dimethylphenyl)benzohydrazide
SMILESCc1cccc(C)c1NNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H21N3O/c1-12-6-5-7-13(2)16(12)18-19-17(21)14-8-10-15(11-9-14)20(3)4/h5-11,18H,1-4H3,(H,19,21)
InChIKeyPKCICTDRHKUILO-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.13
Rot. Bonds4

About 4-(dimethylamino)-N'-(2,6-dimethylphenyl)benzohydrazide

4-(dimethylamino)-N'-(2,6-dimethylphenyl)benzohydrazide (PubChem CID 127030729) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(dimethylamino)-N'-(2,6-dimethylphenyl)benzohydrazide.

Molecular Properties

Compound Name4-(dimethylamino)-N'-(2,6-dimethylphenyl)benzohydrazide
PubChem CID127030729
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-(dimethylamino)-N'-(2,6-dimethylphenyl)benzohydrazide
SMILESCc1cccc(C)c1NNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H21N3O/c1-12-6-5-7-13(2)16(12)18-19-17(21)14-8-10-15(11-9-14)20(3)4/h5-11,18H,1-4H3,(H,19,21)
InChIKeyPKCICTDRHKUILO-UHFFFAOYSA-N
XLogP3.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N'-(2,6-dimethylphenyl)benzohydrazide?
The IUPAC name of 4-(dimethylamino)-N'-(2,6-dimethylphenyl)benzohydrazide (CID 127030729) is 4-(dimethylamino)-N'-(2,6-dimethylphenyl)benzohydrazide.
What is the SMILES notation for 4-(dimethylamino)-N'-(2,6-dimethylphenyl)benzohydrazide?
The canonical SMILES for 4-(dimethylamino)-N'-(2,6-dimethylphenyl)benzohydrazide is Cc1cccc(C)c1NNC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N'-(2,6-dimethylphenyl)benzohydrazide?
The InChIKey is PKCICTDRHKUILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-6-5-7-13(2)16(12)18-19-17(21)14-8-10-15(11-9-14)20(3)4/h5-11,18H,1-4H3,(H,19,21).
What are the key properties of 4-(dimethylamino)-N'-(2,6-dimethylphenyl)benzohydrazide?
4-(dimethylamino)-N'-(2,6-dimethylphenyl)benzohydrazide has a molecular weight of 283.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N'-(2,6-dimethylphenyl)benzohydrazide is sourced from PubChem (CID 127030729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).