2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide

C22H28N2O2 — CID 113168344

IUPAC2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(C(C)=O)c1ccc(C)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-6-18-9-8-10-19(7-2)22(18)23-21(26)14-24(17(5)25)20-12-11-15(3)16(4)13-20/h8-13H,6-7,14H2,1-5H3,(H,23,26)
InChIKeyWKXDTOFPYSRVBU-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.42
Rot. Bonds6

About 2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide

2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide (PubChem CID 113168344) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide
PubChem CID113168344
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(C(C)=O)c1ccc(C)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-6-18-9-8-10-19(7-2)22(18)23-21(26)14-24(17(5)25)20-12-11-15(3)16(4)13-20/h8-13H,6-7,14H2,1-5H3,(H,23,26)
InChIKeyWKXDTOFPYSRVBU-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3,4-dichloroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113179486
2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide
CID 113176902
2-(N-acetylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113167169
2-(N-acetyl-2,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113167956
2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide
CID 113180930
2-(N-acetyl-3,4-dimethylanilino)-N-(2,3-dichlorophenyl)acetamide
CID 113168416
2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113168353
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113174436
2-(N-acetyl-3,4-dimethylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113168414
2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide
CID 113168349
2-(N-acetyl-3,4-dimethylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113168375
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 113169493

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide (CID 113168344) is 2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)CN(C(C)=O)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide?
The InChIKey is WKXDTOFPYSRVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-6-18-9-8-10-19(7-2)22(18)23-21(26)14-24(17(5)25)20-12-11-15(3)16(4)13-20/h8-13H,6-7,14H2,1-5H3,(H,23,26).
What are the key properties of 2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide?
2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 113168344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).