2-(4,5-dimethyl-2-propanoylanilino)acetamide

C13H18N2O2 — CID 141175372

IUPAC2-(4,5-dimethyl-2-propanoylanilino)acetamide
SMILESCCC(=O)c1cc(C)c(C)cc1NCC(N)=O
InChIInChI=1S/C13H18N2O2/c1-4-12(16)10-5-8(2)9(3)6-11(10)15-7-13(14)17/h5-6,15H,4,7H2,1-3H3,(H2,14,17)
InChIKeySKUGDFJPJNNUAY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.79
Rot. Bonds5

About 2-(4,5-dimethyl-2-propanoylanilino)acetamide

2-(4,5-dimethyl-2-propanoylanilino)acetamide (PubChem CID 141175372) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(4,5-dimethyl-2-propanoylanilino)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-2-propanoylanilino)acetamide
PubChem CID141175372
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(4,5-dimethyl-2-propanoylanilino)acetamide
SMILESCCC(=O)c1cc(C)c(C)cc1NCC(N)=O
InChIInChI=1S/C13H18N2O2/c1-4-12(16)10-5-8(2)9(3)6-11(10)15-7-13(14)17/h5-6,15H,4,7H2,1-3H3,(H2,14,17)
InChIKeySKUGDFJPJNNUAY-UHFFFAOYSA-N
XLogP1.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetyl-4-chloro-5-methylanilino)acetamide
CID 141175373
2-methyl-4-(methylamino)-5-propanoylbenzaldehyde
CID 142602755
2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid
CID 25025738
2-(3,4-dimethylanilino)acetamide
CID 28580413
2-[(2-chloro-5-methyl-4-pyridinyl)amino]acetamide;ethane
CID 153404933
2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid
CID 18802501
ethyl 2-(2,4,5-trimethylanilino)acetate
CID 115257207
2-(2-carbamothioyl-5-chloroanilino)acetamide
CID 63083530
2-(5-chloro-2,4-dimethoxyanilino)acetamide
CID 28576076
2-(2-amino-4-methylanilino)acetamide
CID 43349420
2-(4-fluoro-5-methyl-2-nitroanilino)acetamide
CID 103591433
2-(2-amino-4,5-dimethoxyanilino)acetamide
CID 83001750

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-2-propanoylanilino)acetamide?
The IUPAC name of 2-(4,5-dimethyl-2-propanoylanilino)acetamide (CID 141175372) is 2-(4,5-dimethyl-2-propanoylanilino)acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-2-propanoylanilino)acetamide?
The canonical SMILES for 2-(4,5-dimethyl-2-propanoylanilino)acetamide is CCC(=O)c1cc(C)c(C)cc1NCC(N)=O.
What is the InChIKey of 2-(4,5-dimethyl-2-propanoylanilino)acetamide?
The InChIKey is SKUGDFJPJNNUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-12(16)10-5-8(2)9(3)6-11(10)15-7-13(14)17/h5-6,15H,4,7H2,1-3H3,(H2,14,17).
What are the key properties of 2-(4,5-dimethyl-2-propanoylanilino)acetamide?
2-(4,5-dimethyl-2-propanoylanilino)acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-2-propanoylanilino)acetamide is sourced from PubChem (CID 141175372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).