4-acetamido-N,N,2-trimethylbenzamide

C12H16N2O2 — CID 21338871

IUPAC4-acetamido-N,N,2-trimethylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1
InChIInChI=1S/C12H16N2O2/c1-8-7-10(13-9(2)15)5-6-11(8)12(16)14(3)4/h5-7H,1-4H3,(H,13,15)
InChIKeyASNAJZNNPVUSNY-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.66
Rot. Bonds2

About 4-acetamido-N,N,2-trimethylbenzamide

4-acetamido-N,N,2-trimethylbenzamide (PubChem CID 21338871) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-acetamido-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name4-acetamido-N,N,2-trimethylbenzamide
PubChem CID21338871
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-acetamido-N,N,2-trimethylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1
InChIInChI=1S/C12H16N2O2/c1-8-7-10(13-9(2)15)5-6-11(8)12(16)14(3)4/h5-7H,1-4H3,(H,13,15)
InChIKeyASNAJZNNPVUSNY-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide
CID 119332625
N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119332635
4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide
CID 119332645
5-[4-(dimethylcarbamoyl)-3-methylanilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119137875
4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide
CID 120563222
(2S,4S)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635307
N,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide
CID 119047666
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
N,N,2-trimethyl-4-(2-piperidin-1-ylethylcarbamoylamino)benzamide
CID 71874325
4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride
CID 120611177
4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120934587

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N,N,2-trimethylbenzamide?
The IUPAC name of 4-acetamido-N,N,2-trimethylbenzamide (CID 21338871) is 4-acetamido-N,N,2-trimethylbenzamide.
What is the SMILES notation for 4-acetamido-N,N,2-trimethylbenzamide?
The canonical SMILES for 4-acetamido-N,N,2-trimethylbenzamide is CC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1.
What is the InChIKey of 4-acetamido-N,N,2-trimethylbenzamide?
The InChIKey is ASNAJZNNPVUSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-7-10(13-9(2)15)5-6-11(8)12(16)14(3)4/h5-7H,1-4H3,(H,13,15).
What are the key properties of 4-acetamido-N,N,2-trimethylbenzamide?
4-acetamido-N,N,2-trimethylbenzamide has a molecular weight of 220.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N,N,2-trimethylbenzamide is sourced from PubChem (CID 21338871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).