3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide

C21H26N2O4 — CID 113129639

IUPAC3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)c1cc(C)ccc1OC
InChIInChI=1S/C21H26N2O4/c1-5-27-19-9-7-6-8-17(19)22-21(25)12-13-23(16(3)24)18-14-15(2)10-11-20(18)26-4/h6-11,14H,5,12-13H2,1-4H3,(H,22,25)
InChIKeyPMPJKJGOZXKUEU-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.78
Rot. Bonds8

About 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide

3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide (PubChem CID 113129639) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
PubChem CID113129639
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)c1cc(C)ccc1OC
InChIInChI=1S/C21H26N2O4/c1-5-27-19-9-7-6-8-17(19)22-21(25)12-13-23(16(3)24)18-14-15(2)10-11-20(18)26-4/h6-11,14H,5,12-13H2,1-4H3,(H,22,25)
InChIKeyPMPJKJGOZXKUEU-UHFFFAOYSA-N
XLogP3.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113130157
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide
CID 113129674
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,3-dichlorophenyl)propanamide
CID 113129672
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methoxyphenyl)propanamide
CID 113124754
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2-ethoxyphenyl)acetamide
CID 113174616
N-(2-ethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47882363
3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113128790
3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 113134137
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113128529
3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide
CID 113129532
3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113126212

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide (CID 113129639) is 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCN(C(C)=O)c1cc(C)ccc1OC.
What is the InChIKey of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide?
The InChIKey is PMPJKJGOZXKUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-27-19-9-7-6-8-17(19)22-21(25)12-13-23(16(3)24)18-14-15(2)10-11-20(18)26-4/h6-11,14H,5,12-13H2,1-4H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide?
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide has a molecular weight of 370.45 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 113129639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).