3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide

C21H26N2O3 — CID 113124239

IUPAC3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCN(C(C)=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-5-26-19-9-7-18(8-10-19)22-21(25)12-13-23(17(4)24)20-11-6-15(2)14-16(20)3/h6-11,14H,5,12-13H2,1-4H3,(H,22,25)
InChIKeyUCDQWXRSBKJWAS-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.08
Rot. Bonds7

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

3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide (PubChem CID 113124239) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide
PubChem CID113124239
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCN(C(C)=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-5-26-19-9-7-18(8-10-19)22-21(25)12-13-23(17(4)24)20-11-6-15(2)14-16(20)3/h6-11,14H,5,12-13H2,1-4H3,(H,22,25)
InChIKeyUCDQWXRSBKJWAS-UHFFFAOYSA-N
XLogP4.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide
CID 113124234
3-(N-acetyl-2,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124281
3-(N-acetyl-4-bromo-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113132763
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113127915
3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 113124259
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide
CID 113124249
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide
CID 113180480
3-(N-acetyl-2,4-dimethylanilino)-N-(3-chlorophenyl)propanamide
CID 113124224
3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide
CID 113124261
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113124184
3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide
CID 113142208

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide (CID 113124239) is 3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCN(C(C)=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of 3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide?
The InChIKey is UCDQWXRSBKJWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-26-19-9-7-18(8-10-19)22-21(25)12-13-23(17(4)24)20-11-6-15(2)14-16(20)3/h6-11,14H,5,12-13H2,1-4H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide?
3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide has a molecular weight of 354.45 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 113124239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).