N'-(2,6-dimethylphenyl)-3-phenylpropanehydrazide

C17H20N2O — CID 57412921

IUPACN'-(2,6-dimethylphenyl)-3-phenylpropanehydrazide
SMILESCc1cccc(C)c1NNC(=O)CCc1ccccc1
InChIInChI=1S/C17H20N2O/c1-13-7-6-8-14(2)17(13)19-18-16(20)12-11-15-9-4-3-5-10-15/h3-10,19H,11-12H2,1-2H3,(H,18,20)
InChIKeyYKRDLIGUKAHFOE-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.38
Rot. Bonds5

About N'-(2,6-dimethylphenyl)-3-phenylpropanehydrazide

N'-(2,6-dimethylphenyl)-3-phenylpropanehydrazide (PubChem CID 57412921) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-3-phenylpropanehydrazide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-3-phenylpropanehydrazide
PubChem CID57412921
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN'-(2,6-dimethylphenyl)-3-phenylpropanehydrazide
SMILESCc1cccc(C)c1NNC(=O)CCc1ccccc1
InChIInChI=1S/C17H20N2O/c1-13-7-6-8-14(2)17(13)19-18-16(20)12-11-15-9-4-3-5-10-15/h3-10,19H,11-12H2,1-2H3,(H,18,20)
InChIKeyYKRDLIGUKAHFOE-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N'-(2,6-dimethylphenyl)-3-phenylpropanehydrazide?
The IUPAC name of N'-(2,6-dimethylphenyl)-3-phenylpropanehydrazide (CID 57412921) is N'-(2,6-dimethylphenyl)-3-phenylpropanehydrazide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-3-phenylpropanehydrazide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-3-phenylpropanehydrazide is Cc1cccc(C)c1NNC(=O)CCc1ccccc1.
What is the InChIKey of N'-(2,6-dimethylphenyl)-3-phenylpropanehydrazide?
The InChIKey is YKRDLIGUKAHFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-7-6-8-14(2)17(13)19-18-16(20)12-11-15-9-4-3-5-10-15/h3-10,19H,11-12H2,1-2H3,(H,18,20).
What are the key properties of N'-(2,6-dimethylphenyl)-3-phenylpropanehydrazide?
N'-(2,6-dimethylphenyl)-3-phenylpropanehydrazide has a molecular weight of 268.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-3-phenylpropanehydrazide is sourced from PubChem (CID 57412921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).