3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide

C22H28N2O2 — CID 113124282

IUPAC3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1ccc(C)cc1C)c1cccc(C)c1
InChIInChI=1S/C22H28N2O2/c1-6-23(20-9-7-8-16(2)15-20)22(26)12-13-24(19(5)25)21-11-10-17(3)14-18(21)4/h7-11,14-15H,6,12-13H2,1-5H3
InChIKeyUZNCQWYWMVEAKV-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.41
Rot. Bonds6

About 3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide

3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide (PubChem CID 113124282) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
PubChem CID113124282
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1ccc(C)cc1C)c1cccc(C)c1
InChIInChI=1S/C22H28N2O2/c1-6-23(20-9-7-8-16(2)15-20)22(26)12-13-24(19(5)25)21-11-10-17(3)14-18(21)4/h7-11,14-15H,6,12-13H2,1-5H3
InChIKeyUZNCQWYWMVEAKV-UHFFFAOYSA-N
XLogP4.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113134364
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127653
3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113129365
ethyl 2-[acetyl-[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate
CID 113134647
3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113125493
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113180492
3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113135183
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113133094
3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide
CID 113124190
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide (CID 113124282) is 3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide is CCN(C(=O)CCN(C(C)=O)c1ccc(C)cc1C)c1cccc(C)c1.
What is the InChIKey of 3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The InChIKey is UZNCQWYWMVEAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-6-23(20-9-7-8-16(2)15-20)22(26)12-13-24(19(5)25)21-11-10-17(3)14-18(21)4/h7-11,14-15H,6,12-13H2,1-5H3.
What are the key properties of 3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide has a molecular weight of 352.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113124282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).