methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate

C17H20N2O4 — CID 21380679

IUPACmethyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate
SMILESCCN(CC)C(=O)C(=O)c1cn(CC(=O)OC)c2ccccc12
InChIInChI=1S/C17H20N2O4/c1-4-18(5-2)17(22)16(21)13-10-19(11-15(20)23-3)14-9-7-6-8-12(13)14/h6-10H,4-5,11H2,1-3H3
InChIKeyXFHSNQPHBVTKGB-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.87
Rot. Bonds6

About methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate

methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate (PubChem CID 21380679) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate
PubChem CID21380679
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Namemethyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate
SMILESCCN(CC)C(=O)C(=O)c1cn(CC(=O)OC)c2ccccc12
InChIInChI=1S/C17H20N2O4/c1-4-18(5-2)17(22)16(21)13-10-19(11-15(20)23-3)14-9-7-6-8-12(13)14/h6-10H,4-5,11H2,1-3H3
InChIKeyXFHSNQPHBVTKGB-UHFFFAOYSA-N
XLogP1.87
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 4248908
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 4248907
N,N-diethyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7066716
N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide
CID 5298767
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 5302284
methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate
CID 2973654
methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate
CID 654649
methyl 2-(3-chloroindol-1-yl)acetate
CID 62805557
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-benzyl-N-ethyl-2-oxoacetamide
CID 41429642
N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 40506565
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide
CID 7162284
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide
CID 18562288

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate?
The IUPAC name of methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate (CID 21380679) is methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate is CCN(CC)C(=O)C(=O)c1cn(CC(=O)OC)c2ccccc12.
What is the InChIKey of methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate?
The InChIKey is XFHSNQPHBVTKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-4-18(5-2)17(22)16(21)13-10-19(11-15(20)23-3)14-9-7-6-8-12(13)14/h6-10H,4-5,11H2,1-3H3.
What are the key properties of methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate?
methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate has a molecular weight of 316.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate is sourced from PubChem (CID 21380679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).