N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide

C23H27N3O3 — CID 55787446

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)ccc21
InChIInChI=1S/C23H27N3O3/c1-5-21(28)26-12-11-17-13-18(9-10-19(17)26)23(29)25(4)14-20(27)24-22-15(2)7-6-8-16(22)3/h6-10,13H,5,11-12,14H2,1-4H3,(H,24,27)
InChIKeyACYMIZXSBBBBAV-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55787446) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID55787446
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)ccc21
InChIInChI=1S/C23H27N3O3/c1-5-21(28)26-12-11-17-13-18(9-10-19(17)26)23(29)25(4)14-20(27)24-22-15(2)7-6-8-16(22)3/h6-10,13H,5,11-12,14H2,1-4H3,(H,24,27)
InChIKeyACYMIZXSBBBBAV-UHFFFAOYSA-N
XLogP3.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 9011392
N-(2-hydroxyethyl)-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 110895331
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8500886
3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9431379
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
CID 9437901
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 24981969
N-[(6-methyl-2-pyridinyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 87041730
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 26619678
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 27788279
N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080849
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 9426086

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 55787446) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)ccc21.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is ACYMIZXSBBBBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-21(28)26-12-11-17-13-18(9-10-19(17)26)23(29)25(4)14-20(27)24-22-15(2)7-6-8-16(22)3/h6-10,13H,5,11-12,14H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55787446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).