N-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide

C15H16N2O2 — CID 18884826

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

About N-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide

N-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide (PubChem CID 18884826) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide
PubChem CID18884826
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide
SMILESC=CCN(CC)C(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H16N2O2/c1-3-9-17(4-2)15(19)14(18)12-10-16-13-8-6-5-7-11(12)13/h3,5-8,10,16H,1,4,9H2,2H3
InChIKeyORVFBEBUNKBNPI-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': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide
CID 84573298
prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 15093890
1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122794
N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide
CID 113208765
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
CID 53414703
2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103339966
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide
CID 60659810
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 60659716
2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 61021751
3-[2-(diethylamino)-2-oxoacetyl]-5-(4-phenyl-N-sulfinoanilino)-1H-indole
CID 68532734

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide?
The IUPAC name of N-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide (CID 18884826) is N-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide.
What is the SMILES notation for N-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide?
The canonical SMILES for N-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide is C=CCN(CC)C(=O)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide?
The InChIKey is ORVFBEBUNKBNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-9-17(4-2)15(19)14(18)12-10-16-13-8-6-5-7-11(12)13/h3,5-8,10,16H,1,4,9H2,2H3.
What are the key properties of N-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide?
N-ethyl-2-(1H-indol-3-yl)-2-oxo-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-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide is sourced from PubChem (CID 18884826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).