2,3-bis(4-methylphenyl)propanehydrazide

C17H20N2O — CID 70580652

IUPAC2,3-bis(4-methylphenyl)propanehydrazide
SMILESCc1ccc(CC(C(=O)NN)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-12-3-7-14(8-4-12)11-16(17(20)19-18)15-9-5-13(2)6-10-15/h3-10,16H,11,18H2,1-2H3,(H,19,20)
InChIKeyYHEDXYFSGCJAKE-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.62
Rot. Bonds4

About 2,3-bis(4-methylphenyl)propanehydrazide

2,3-bis(4-methylphenyl)propanehydrazide (PubChem CID 70580652) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2,3-bis(4-methylphenyl)propanehydrazide.

Molecular Properties

Compound Name2,3-bis(4-methylphenyl)propanehydrazide
PubChem CID70580652
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2,3-bis(4-methylphenyl)propanehydrazide
SMILESCc1ccc(CC(C(=O)NN)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-12-3-7-14(8-4-12)11-16(17(20)19-18)15-9-5-13(2)6-10-15/h3-10,16H,11,18H2,1-2H3,(H,19,20)
InChIKeyYHEDXYFSGCJAKE-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
CID 82092601
3-[4-(hydroxymethyl)phenyl]-2-(4-methylphenyl)propanoic acid
CID 82160685
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one
CID 150059098
3-(4-methylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenylpropanamide
CID 101480409
2-(4-chlorophenyl)-N-(diaminomethylidene)-3-(4-methylphenyl)propanamide
CID 90028115
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030
3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide
CID 12722073
(2S)-N-(diaminomethylidene)-2-(4-methoxyphenyl)-3-(4-methylphenyl)propanamide
CID 73053013
N-methyl-2-(4-methylphenyl)butanamide
CID 177273297
2-amino-3-(4-methylphenyl)propanamide
CID 18981163
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methylphenyl)propanehydrazide?
The IUPAC name of 2,3-bis(4-methylphenyl)propanehydrazide (CID 70580652) is 2,3-bis(4-methylphenyl)propanehydrazide.
What is the SMILES notation for 2,3-bis(4-methylphenyl)propanehydrazide?
The canonical SMILES for 2,3-bis(4-methylphenyl)propanehydrazide is Cc1ccc(CC(C(=O)NN)c2ccc(C)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methylphenyl)propanehydrazide?
The InChIKey is YHEDXYFSGCJAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-3-7-14(8-4-12)11-16(17(20)19-18)15-9-5-13(2)6-10-15/h3-10,16H,11,18H2,1-2H3,(H,19,20).
What are the key properties of 2,3-bis(4-methylphenyl)propanehydrazide?
2,3-bis(4-methylphenyl)propanehydrazide has a molecular weight of 268.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methylphenyl)propanehydrazide is sourced from PubChem (CID 70580652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).