N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide

C21H26N2O2 — CID 113057996

IUPACN-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C)c(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C21H26N2O2/c1-14-10-15(2)12-20(11-14)23(18(5)24)9-8-22-21(25)19-7-6-16(3)17(4)13-19/h6-7,10-13H,8-9H2,1-5H3,(H,22,25)
InChIKeyIEBDTJXCOJMHED-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.70
Rot. Bonds5

About N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide

N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide (PubChem CID 113057996) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide
PubChem CID113057996
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C)c(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C21H26N2O2/c1-14-10-15(2)12-20(11-14)23(18(5)24)9-8-22-21(25)19-7-6-16(3)17(4)13-19/h6-7,10-13H,8-9H2,1-5H3,(H,22,25)
InChIKeyIEBDTJXCOJMHED-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide
CID 113061310
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113068983
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide
CID 113059183
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide
CID 113063724
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide
CID 113058813
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide
CID 113057862
N-[2-(N-acetyl-3-methylanilino)ethyl]-3-fluorobenzamide
CID 113057422
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide
CID 113053159
N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058034
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide
CID 113057921
methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113062028
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide
CID 113057546

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide (CID 113057996) is N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide is CC(=O)N(CCNC(=O)c1ccc(C)c(C)c1)c1cc(C)cc(C)c1.
What is the InChIKey of N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide?
The InChIKey is IEBDTJXCOJMHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-10-15(2)12-20(11-14)23(18(5)24)9-8-22-21(25)19-7-6-16(3)17(4)13-19/h6-7,10-13H,8-9H2,1-5H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide?
N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 113057996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).