2-[2-methyl-4-(2-oxoethoxy)-1-prop-2-enylindol-3-yl]-2-oxoacetamide

C16H16N2O4 — CID 89359009

IUPAC2-[2-methyl-4-(2-oxoethoxy)-1-prop-2-enylindol-3-yl]-2-oxoacetamide
SMILESC=CCn1c(C)c(C(=O)C(N)=O)c2c(OCC=O)cccc21
InChIInChI=1S/C16H16N2O4/c1-3-7-18-10(2)13(15(20)16(17)21)14-11(18)5-4-6-12(14)22-9-8-19/h3-6,8H,1,7,9H2,2H3,(H2,17,21)
InChIKeyKVYYDBZKIWOZHU-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.38
Rot. Bonds7

About 2-[2-methyl-4-(2-oxoethoxy)-1-prop-2-enylindol-3-yl]-2-oxoacetamide

2-[2-methyl-4-(2-oxoethoxy)-1-prop-2-enylindol-3-yl]-2-oxoacetamide (PubChem CID 89359009) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[2-methyl-4-(2-oxoethoxy)-1-prop-2-enylindol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(2-oxoethoxy)-1-prop-2-enylindol-3-yl]-2-oxoacetamide
PubChem CID89359009
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-[2-methyl-4-(2-oxoethoxy)-1-prop-2-enylindol-3-yl]-2-oxoacetamide
SMILESC=CCn1c(C)c(C(=O)C(N)=O)c2c(OCC=O)cccc21
InChIInChI=1S/C16H16N2O4/c1-3-7-18-10(2)13(15(20)16(17)21)14-11(18)5-4-6-12(14)22-9-8-19/h3-6,8H,1,7,9H2,2H3,(H2,17,21)
InChIKeyKVYYDBZKIWOZHU-UHFFFAOYSA-N
XLogP1.38
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(2-oxoethoxy)-1-prop-2-enylindol-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[2-methyl-4-(2-oxoethoxy)-1-prop-2-enylindol-3-yl]-2-oxoacetamide (CID 89359009) is 2-[2-methyl-4-(2-oxoethoxy)-1-prop-2-enylindol-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-methyl-4-(2-oxoethoxy)-1-prop-2-enylindol-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[2-methyl-4-(2-oxoethoxy)-1-prop-2-enylindol-3-yl]-2-oxoacetamide is C=CCn1c(C)c(C(=O)C(N)=O)c2c(OCC=O)cccc21.
What is the InChIKey of 2-[2-methyl-4-(2-oxoethoxy)-1-prop-2-enylindol-3-yl]-2-oxoacetamide?
The InChIKey is KVYYDBZKIWOZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-7-18-10(2)13(15(20)16(17)21)14-11(18)5-4-6-12(14)22-9-8-19/h3-6,8H,1,7,9H2,2H3,(H2,17,21).
What are the key properties of 2-[2-methyl-4-(2-oxoethoxy)-1-prop-2-enylindol-3-yl]-2-oxoacetamide?
2-[2-methyl-4-(2-oxoethoxy)-1-prop-2-enylindol-3-yl]-2-oxoacetamide has a molecular weight of 300.31 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(2-oxoethoxy)-1-prop-2-enylindol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 89359009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).