3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide

C23H30N2O3 — CID 113126212

IUPAC3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)c1c(CC)cccc1CC
InChIInChI=1S/C23H30N2O3/c1-5-18-11-10-12-19(6-2)23(18)25(17(4)26)16-15-22(27)24-20-13-8-9-14-21(20)28-7-3/h8-14H,5-7,15-16H2,1-4H3,(H,24,27)
InChIKeyDIKQXWATKBTDIH-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.59
Rot. Bonds9

About 3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide

3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide (PubChem CID 113126212) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide
PubChem CID113126212
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)c1c(CC)cccc1CC
InChIInChI=1S/C23H30N2O3/c1-5-18-11-10-12-19(6-2)23(18)25(17(4)26)16-15-22(27)24-20-13-8-9-14-21(20)28-7-3/h8-14H,5-7,15-16H2,1-4H3,(H,24,27)
InChIKeyDIKQXWATKBTDIH-UHFFFAOYSA-N
XLogP4.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327
3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 113134137
3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide
CID 113126234
3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113125924
methyl 3-[acetyl-[3-(2-ethoxyanilino)-3-oxopropyl]amino]benzoate
CID 113131429
3-[acetyl(propyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115045
3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115445
3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113122550
3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113129456
3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113126214
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113130157
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129639

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide (CID 113126212) is 3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCN(C(C)=O)c1c(CC)cccc1CC.
What is the InChIKey of 3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide?
The InChIKey is DIKQXWATKBTDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-5-18-11-10-12-19(6-2)23(18)25(17(4)26)16-15-22(27)24-20-13-8-9-14-21(20)28-7-3/h8-14H,5-7,15-16H2,1-4H3,(H,24,27).
What are the key properties of 3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide?
3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide has a molecular weight of 382.50 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 113126212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).