2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide

C18H22N2O — CID 58181343

IUPAC2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide
SMILESCc1ccc(CCc2ccc(CC(=O)NN)cc2)cc1C
InChIInChI=1S/C18H22N2O/c1-13-3-4-16(11-14(13)2)8-5-15-6-9-17(10-7-15)12-18(21)20-19/h3-4,6-7,9-11H,5,8,12,19H2,1-2H3,(H,20,21)
InChIKeyFMXAYZTUTFQYFT-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.62
Rot. Bonds5

About 2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide

2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide (PubChem CID 58181343) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide
PubChem CID58181343
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide
SMILESCc1ccc(CCc2ccc(CC(=O)NN)cc2)cc1C
InChIInChI=1S/C18H22N2O/c1-13-3-4-16(11-14(13)2)8-5-15-6-9-17(10-7-15)12-18(21)20-19/h3-4,6-7,9-11H,5,8,12,19H2,1-2H3,(H,20,21)
InChIKeyFMXAYZTUTFQYFT-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
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-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide
CID 90049516
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide
CID 105351415
2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide
CID 44539467
2-amino-N-[2-(3,4-dimethylphenyl)ethyl]acetamide
CID 82492265
2-(2,4,5-trimethylphenyl)acetohydrazide
CID 100523227
N-[2-(3,4-dimethylphenyl)ethyl]-3-oxobutanamide
CID 115176506
1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775625
3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one
CID 116560222
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethylphenyl)acetamide
CID 81484732
3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
CID 115154307
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 81486693

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide (CID 58181343) is 2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide is Cc1ccc(CCc2ccc(CC(=O)NN)cc2)cc1C.
What is the InChIKey of 2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide?
The InChIKey is FMXAYZTUTFQYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-3-4-16(11-14(13)2)8-5-15-6-9-17(10-7-15)12-18(21)20-19/h3-4,6-7,9-11H,5,8,12,19H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide?
2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide has a molecular weight of 282.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide is sourced from PubChem (CID 58181343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).