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

C16H22N2O3 — CID 113115644

IUPAC3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide
SMILESC=CCN(CCC(=O)Nc1ccccc1OCC)C(C)=O
InChIInChI=1S/C16H22N2O3/c1-4-11-18(13(3)19)12-10-16(20)17-14-8-6-7-9-15(14)21-5-2/h4,6-9H,1,5,10-12H2,2-3H3,(H,17,20)
InChIKeyPOFFEAAOCJYYSN-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.45
Rot. Bonds8

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

3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide (PubChem CID 113115644) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide
PubChem CID113115644
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide
SMILESC=CCN(CCC(=O)Nc1ccccc1OCC)C(C)=O
InChIInChI=1S/C16H22N2O3/c1-4-11-18(13(3)19)12-10-16(20)17-14-8-6-7-9-15(14)21-5-2/h4,6-9H,1,5,10-12H2,2-3H3,(H,17,20)
InChIKeyPOFFEAAOCJYYSN-UHFFFAOYSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl(propyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115045
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-[(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-(2-ethoxyphenyl)propanamide
CID 113129327
2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide
CID 84571235
N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide
CID 50967845
3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116636
3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113126212

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide (CID 113115644) is 3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide is C=CCN(CCC(=O)Nc1ccccc1OCC)C(C)=O.
What is the InChIKey of 3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is POFFEAAOCJYYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-11-18(13(3)19)12-10-16(20)17-14-8-6-7-9-15(14)21-5-2/h4,6-9H,1,5,10-12H2,2-3H3,(H,17,20).
What are the key properties of 3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide?
3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 290.36 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 113115644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).