3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide

C21H26N2O4 — CID 113129327

IUPAC3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)c1ccccc1OCC
InChIInChI=1S/C21H26N2O4/c1-4-26-19-12-8-6-10-17(19)22-21(25)14-15-23(16(3)24)18-11-7-9-13-20(18)27-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)
InChIKeyPLBGBNKHUGHBSZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.87
Rot. Bonds9

About 3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide

3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide (PubChem CID 113129327) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
PubChem CID113129327
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)c1ccccc1OCC
InChIInChI=1S/C21H26N2O4/c1-4-26-19-12-8-6-10-17(19)22-21(25)14-15-23(16(3)24)18-11-7-9-13-20(18)27-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)
InChIKeyPLBGBNKHUGHBSZ-UHFFFAOYSA-N
XLogP3.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.87
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-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113126212
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129639
3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 113134137
3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113125924
3-[acetyl(propyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115045
3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113128790
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 113119354
3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113122550
3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115445
3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129331
methyl 3-[acetyl-[3-(2-ethoxyanilino)-3-oxopropyl]amino]benzoate
CID 113131429

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide (CID 113129327) is 3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCN(C(C)=O)c1ccccc1OCC.
What is the InChIKey of 3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide?
The InChIKey is PLBGBNKHUGHBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-26-19-12-8-6-10-17(19)22-21(25)14-15-23(16(3)24)18-11-7-9-13-20(18)27-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide?
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide has a molecular weight of 370.45 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 113129327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).