3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide

C16H22N2O2 — CID 113125155

IUPAC3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(C(C)=O)c1ccccc1CC
InChIInChI=1S/C16H22N2O2/c1-4-11-17-16(20)10-12-18(13(3)19)15-9-7-6-8-14(15)5-2/h4,6-9H,1,5,10-12H2,2-3H3,(H,17,20)
InChIKeyOLRDIJJPPGHRFE-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.29
Rot. Bonds7

About 3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide

3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide (PubChem CID 113125155) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide
PubChem CID113125155
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(C(C)=O)c1ccccc1CC
InChIInChI=1S/C16H22N2O2/c1-4-11-17-16(20)10-12-18(13(3)19)15-9-7-6-8-14(15)5-2/h4,6-9H,1,5,10-12H2,2-3H3,(H,17,20)
InChIKeyOLRDIJJPPGHRFE-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide
CID 113127011
3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113125183
N-[2-(N-acetyl-2-ethylanilino)ethyl]pentanamide
CID 113058287
3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide
CID 113125154
3-(N-acetyl-4-bromo-2-methylanilino)-N-prop-2-enylpropanamide
CID 113132727
methyl 4-[3-(N-acetyl-2-ethylanilino)propanoylamino]benzoate
CID 113125293
3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113125200
3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130062
N-[2-(N-acetyl-2-ethylanilino)ethyl]-2-phenylacetamide
CID 113058316
3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 113130514
3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113125296

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide (CID 113125155) is 3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide is C=CCNC(=O)CCN(C(C)=O)c1ccccc1CC.
What is the InChIKey of 3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide?
The InChIKey is OLRDIJJPPGHRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-11-17-16(20)10-12-18(13(3)19)15-9-7-6-8-14(15)5-2/h4,6-9H,1,5,10-12H2,2-3H3,(H,17,20).
What are the key properties of 3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide?
3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide has a molecular weight of 274.36 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 113125155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).