2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide

C24H27N3O4 — CID 7162284

IUPAC2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide
SMILESCCOc1ccccc1NC(=O)C(=O)c1cn(CC(=O)N(CC)CC)c2ccccc12
InChIInChI=1S/C24H27N3O4/c1-4-26(5-2)22(28)16-27-15-18(17-11-7-9-13-20(17)27)23(29)24(30)25-19-12-8-10-14-21(19)31-6-3/h7-15H,4-6,16H2,1-3H3,(H,25,30)
InChIKeyUGIXOVKZJVBQKC-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.73
Rot. Bonds9

About 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide

2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide (PubChem CID 7162284) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide
PubChem CID7162284
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide
SMILESCCOc1ccccc1NC(=O)C(=O)c1cn(CC(=O)N(CC)CC)c2ccccc12
InChIInChI=1S/C24H27N3O4/c1-4-26(5-2)22(28)16-27-15-18(17-11-7-9-13-20(17)27)23(29)24(30)25-19-12-8-10-14-21(19)31-6-3/h7-15H,4-6,16H2,1-3H3,(H,25,30)
InChIKeyUGIXOVKZJVBQKC-UHFFFAOYSA-N
XLogP3.73
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 41429495
N-(3-acetamidophenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 16832346
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
2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide
CID 83174508
methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate
CID 21380679
2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 46858731
N-(2-ethylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 4535551
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526
N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide
CID 66408422
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide
CID 41429515
N-(2-ethoxyphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694536

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide (CID 7162284) is 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide is CCOc1ccccc1NC(=O)C(=O)c1cn(CC(=O)N(CC)CC)c2ccccc12.
What is the InChIKey of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide?
The InChIKey is UGIXOVKZJVBQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-4-26(5-2)22(28)16-27-15-18(17-11-7-9-13-20(17)27)23(29)24(30)25-19-12-8-10-14-21(19)31-6-3/h7-15H,4-6,16H2,1-3H3,(H,25,30).
What are the key properties of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide?
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide has a molecular weight of 421.50 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 7162284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).