3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide

C16H24N2O4 — CID 113117001

IUPAC3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(CCOC)C(C)=O
InChIInChI=1S/C16H24N2O4/c1-4-22-15-8-6-5-7-14(15)17-16(20)9-10-18(13(2)19)11-12-21-3/h5-8H,4,9-12H2,1-3H3,(H,17,20)
InChIKeyMEDYRLQGAUSSIE-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.91
Rot. Bonds9

About 3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide

3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide (PubChem CID 113117001) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide
PubChem CID113117001
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(CCOC)C(C)=O
InChIInChI=1S/C16H24N2O4/c1-4-22-15-8-6-5-7-14(15)17-16(20)9-10-18(13(2)19)11-12-21-3/h5-8H,4,9-12H2,1-3H3,(H,17,20)
InChIKeyMEDYRLQGAUSSIE-UHFFFAOYSA-N
XLogP1.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(propyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115045
3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113122932
3-[acetyl(2-methylpropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116041
3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115644
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 113119354
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
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-(2-ethoxyphenyl)propanamide
CID 113129327
3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116636
3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide
CID 113117158
3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113126212

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide (CID 113117001) is 3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCN(CCOC)C(C)=O.
What is the InChIKey of 3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is MEDYRLQGAUSSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-22-15-8-6-5-7-14(15)17-16(20)9-10-18(13(2)19)11-12-21-3/h5-8H,4,9-12H2,1-3H3,(H,17,20).
What are the key properties of 3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide?
3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 308.38 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 113117001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).