2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide

C17H17NO2 — CID 106912167

IUPAC2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(C=O)cc2)cc1C
InChIInChI=1S/C17H17NO2/c1-12-3-4-15(9-13(12)2)10-17(20)18-16-7-5-14(11-19)6-8-16/h3-9,11H,10H2,1-2H3,(H,18,20)
InChIKeyHKUNIWHEDSPTRX-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.30
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide

2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide (PubChem CID 106912167) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide
PubChem CID106912167
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(C=O)cc2)cc1C
InChIInChI=1S/C17H17NO2/c1-12-3-4-15(9-13(12)2)10-17(20)18-16-7-5-14(11-19)6-8-16/h3-9,11H,10H2,1-2H3,(H,18,20)
InChIKeyHKUNIWHEDSPTRX-UHFFFAOYSA-N
XLogP3.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 2664751
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide
CID 8503741
N-(3-amino-4-methylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 62057767
N-(4-formylphenyl)-2-phenylacetamide
CID 56932050
2-(3,4-dimethylphenyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2672838
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
2-(3,4-dichlorophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 8743954
N-(3,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 4803684
N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide
CID 4793474
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328
2-(3,4-dimethylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 8759555

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide (CID 106912167) is 2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(C=O)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide?
The InChIKey is HKUNIWHEDSPTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-3-4-15(9-13(12)2)10-17(20)18-16-7-5-14(11-19)6-8-16/h3-9,11H,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide?
2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide is sourced from PubChem (CID 106912167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).