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

C21H26N2O2 — CID 113057921

IUPACN-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(C)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-15-5-8-19(9-6-15)14-21(25)22-11-12-23(18(4)24)20-10-7-16(2)17(3)13-20/h5-10,13H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyIDIWHISLHOLKOK-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.32
Rot. Bonds6

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

N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide (PubChem CID 113057921) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide
PubChem CID113057921
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(C)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-15-5-8-19(9-6-15)14-21(25)22-11-12-23(18(4)24)20-10-7-16(2)17(3)13-20/h5-10,13H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyIDIWHISLHOLKOK-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113062988
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide
CID 113057862
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide
CID 113061521
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide
CID 113057868
N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113057472
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113059999
3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
CID 113124546
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113061315
N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide
CID 113057598
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide
CID 113057534
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113062183
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 78833376

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide (CID 113057921) is N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide is CC(=O)N(CCNC(=O)Cc1ccc(C)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is IDIWHISLHOLKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-5-8-19(9-6-15)14-21(25)22-11-12-23(18(4)24)20-10-7-16(2)17(3)13-20/h5-10,13H,11-12,14H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide?
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.32, 6 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]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113057921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).