3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide

C16H24N2O2 — CID 113124461

IUPAC3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide
SMILESCC(=O)N(CCC(=O)NC(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-11(2)17-16(20)8-9-18(14(5)19)15-7-6-12(3)13(4)10-15/h6-7,10-11H,8-9H2,1-5H3,(H,17,20)
InChIKeyYZCTUDWKNMAKDB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.57
Rot. Bonds5

About 3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide

3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide (PubChem CID 113124461) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide
PubChem CID113124461
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide
SMILESCC(=O)N(CCC(=O)NC(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-11(2)17-16(20)8-9-18(14(5)19)15-7-6-12(3)13(4)10-15/h6-7,10-11H,8-9H2,1-5H3,(H,17,20)
InChIKeyYZCTUDWKNMAKDB-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide
CID 113124465
3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide
CID 113130179
3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
CID 113124546
3-(N-acetyl-3,4-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113124562
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 113130512
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide
CID 113057868
3-(N-acetyl-3,4-dimethylanilino)-N-(4-bromophenyl)propanamide
CID 113124580
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide
CID 113057862
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53281030
3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124627
3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113124484
3-(N-acetyl-3,4-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113124504

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide (CID 113124461) is 3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide is CC(=O)N(CCC(=O)NC(C)C)c1ccc(C)c(C)c1.
What is the InChIKey of 3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide?
The InChIKey is YZCTUDWKNMAKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)17-16(20)8-9-18(14(5)19)15-7-6-12(3)13(4)10-15/h6-7,10-11H,8-9H2,1-5H3,(H,17,20).
What are the key properties of 3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide?
3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 113124461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).