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

C20H27N3O3 — CID 4248908

IUPAC2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(=O)N(CC)CC)c2ccccc21
InChIInChI=1S/C20H27N3O3/c1-5-21(6-2)18(24)14-23-13-16(15-11-9-10-12-17(15)23)19(25)20(26)22(7-3)8-4/h9-13H,5-8,14H2,1-4H3
InChIKeyIWWTYHUYZPUHBU-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.56
Rot. Bonds8

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

2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide (PubChem CID 4248908) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
PubChem CID4248908
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(=O)N(CC)CC)c2ccccc21
InChIInChI=1S/C20H27N3O3/c1-5-21(6-2)18(24)14-23-13-16(15-11-9-10-12-17(15)23)19(25)20(26)22(7-3)8-4/h9-13H,5-8,14H2,1-4H3
InChIKeyIWWTYHUYZPUHBU-UHFFFAOYSA-N
XLogP2.56
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 4248907
methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate
CID 21380679
N,N-diethyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7066716
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide
CID 18562288
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 5302284
N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide
CID 5298767
ethyl 4-[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 41429456
N,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide
CID 18562277
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-(2-ethoxyphenyl)-2-oxoacetamide
CID 7162284
N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 4052226
N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 41429495

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide?
The IUPAC name of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide (CID 4248908) is 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide.
What is the SMILES notation for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide?
The canonical SMILES for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide is CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N(CC)CC)c2ccccc21.
What is the InChIKey of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide?
The InChIKey is IWWTYHUYZPUHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-5-21(6-2)18(24)14-23-13-16(15-11-9-10-12-17(15)23)19(25)20(26)22(7-3)8-4/h9-13H,5-8,14H2,1-4H3.
What are the key properties of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide?
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide has a molecular weight of 357.45 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide is sourced from PubChem (CID 4248908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).