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

C16H22N2O3 — CID 113115445

IUPAC3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)C1CC1
InChIInChI=1S/C16H22N2O3/c1-3-21-15-7-5-4-6-14(15)17-16(20)10-11-18(12(2)19)13-8-9-13/h4-7,13H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyAZQWZEQISXEYIB-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.42
Rot. Bonds7

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

3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide (PubChem CID 113115445) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide
PubChem CID113115445
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)C1CC1
InChIInChI=1S/C16H22N2O3/c1-3-21-15-7-5-4-6-14(15)17-16(20)10-11-18(12(2)19)13-8-9-13/h4-7,13H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyAZQWZEQISXEYIB-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116636
2-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)acetamide
CID 113158429
3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113115448
3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113122550
3-[acetyl(propyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115045
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327
3-[acetyl(2-methylpropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116041
3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113117001
3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113122932
3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115644
3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113126212
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 84567767

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide (CID 113115445) is 3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCN(C(C)=O)C1CC1.
What is the InChIKey of 3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is AZQWZEQISXEYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-21-15-7-5-4-6-14(15)17-16(20)10-11-18(12(2)19)13-8-9-13/h4-7,13H,3,8-11H2,1-2H3,(H,17,20).
What are the key properties of 3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide?
3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 290.36 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 113115445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).