N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide

C14H20N2O2 — CID 113057862

IUPACN-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide
SMILESCC(=O)NCCN(C(C)=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-14(9-11(10)2)16(13(4)18)8-7-15-12(3)17/h5-6,9H,7-8H2,1-4H3,(H,15,17)
InChIKeyJTVXAAFFLBMINW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.79
Rot. Bonds4

About N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide

N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide (PubChem CID 113057862) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide
PubChem CID113057862
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide
SMILESCC(=O)NCCN(C(C)=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-14(9-11(10)2)16(13(4)18)8-7-15-12(3)17/h5-6,9H,7-8H2,1-4H3,(H,15,17)
InChIKeyJTVXAAFFLBMINW-UHFFFAOYSA-N
XLogP1.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide
CID 113057868
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide
CID 113057921
N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
CID 113059276
N-[2-(N,4-diacetylanilino)ethyl]acetamide
CID 113061629
N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide
CID 91715659
3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide
CID 113124465
3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide
CID 113124461
ethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate
CID 113063225
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide
CID 113061310
N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide
CID 113057996
methyl N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]carbamate
CID 113060022
3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
CID 113124546

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide?
The IUPAC name of N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide (CID 113057862) is N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide is CC(=O)NCCN(C(C)=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide?
The InChIKey is JTVXAAFFLBMINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-6-14(9-11(10)2)16(13(4)18)8-7-15-12(3)17/h5-6,9H,7-8H2,1-4H3,(H,15,17).
What are the key properties of N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide?
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide is sourced from PubChem (CID 113057862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).