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

C18H23N3O3 — CID 4248907

IUPAC2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(=O)N(C)C)c2ccccc21
InChIInChI=1S/C18H23N3O3/c1-5-20(6-2)16(22)12-21-11-14(17(23)18(24)19(3)4)13-9-7-8-10-15(13)21/h7-11H,5-6,12H2,1-4H3
InChIKeyAXXKDHKAHRKPNH-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.78
Rot. Bonds6

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

2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 4248907) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID4248907
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(=O)N(C)C)c2ccccc21
InChIInChI=1S/C18H23N3O3/c1-5-20(6-2)16(22)12-21-11-14(17(23)18(24)19(3)4)13-9-7-8-10-15(13)21/h7-11H,5-6,12H2,1-4H3
InChIKeyAXXKDHKAHRKPNH-UHFFFAOYSA-N
XLogP1.78
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.78
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-diethyl-2-oxoacetamide
CID 4248908
methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate
CID 21380679
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide
CID 18562288
ethyl 4-[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 41429456
N-(3-acetamidophenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 16832346
N,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide
CID 18562277
N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 4052226
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide
CID 7162284
N,N-diethyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7066716
1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid
CID 43309799
N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 41429495
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 4248907) is 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide is CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N(C)C)c2ccccc21.
What is the InChIKey of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is AXXKDHKAHRKPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-5-20(6-2)16(22)12-21-11-14(17(23)18(24)19(3)4)13-9-7-8-10-15(13)21/h7-11H,5-6,12H2,1-4H3.
What are the key properties of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 329.40 g/mol, XLogP of 1.78, 6 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-dimethyl-2-oxoacetamide is sourced from PubChem (CID 4248907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).