N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide

C15H16N2O2 — CID 84573298

IUPACN-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CC(=O)c1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C15H16N2O2/c1-3-8-17(11(2)18)10-15(19)13-9-16-14-7-5-4-6-12(13)14/h3-7,9,16H,1,8,10H2,2H3
InChIKeyIMOUQJHBLGKMFC-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.39
Rot. Bonds5

About N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide

N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide (PubChem CID 84573298) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide
PubChem CID84573298
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CC(=O)c1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C15H16N2O2/c1-3-8-17(11(2)18)10-15(19)13-9-16-14-7-5-4-6-12(13)14/h3-7,9,16H,1,8,10H2,2H3
InChIKeyIMOUQJHBLGKMFC-UHFFFAOYSA-N
XLogP2.39
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.39
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

N-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide
CID 18884826
3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115565
N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 11448238
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103339966
prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 15093890
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122794
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47406128
1-(1H-indol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61036275
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide (CID 84573298) is N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide is C=CCN(CC(=O)c1c[nH]c2ccccc12)C(C)=O.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide?
The InChIKey is IMOUQJHBLGKMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-8-17(11(2)18)10-15(19)13-9-16-14-7-5-4-6-12(13)14/h3-7,9,16H,1,8,10H2,2H3.
What are the key properties of N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide?
N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide has a molecular weight of 256.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 84573298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).