[2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate

C15H18N2O3 — CID 18080215

IUPAC[2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCc1[nH]c2ccc(C(=O)OCC(=O)N(C)C)cc2c1C
InChIInChI=1S/C15H18N2O3/c1-9-10(2)16-13-6-5-11(7-12(9)13)15(19)20-8-14(18)17(3)4/h5-7,16H,8H2,1-4H3
InChIKeyCWWYHISQILZXMQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.03
Rot. Bonds3

About [2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate

[2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate (PubChem CID 18080215) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
PubChem CID18080215
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCc1[nH]c2ccc(C(=O)OCC(=O)N(C)C)cc2c1C
InChIInChI=1S/C15H18N2O3/c1-9-10(2)16-13-6-5-11(7-12(9)13)15(19)20-8-14(18)17(3)4/h5-7,16H,8H2,1-4H3
InChIKeyCWWYHISQILZXMQ-UHFFFAOYSA-N
XLogP2.03
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
CID 18099294
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 18080433
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
benzyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 50888023
(2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
CID 9113754
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 8892731
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 41120693
[2-(3-chloroanilino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 41120769
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 18104064
[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 25379223
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 9111860

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate (CID 18080215) is [2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate is Cc1[nH]c2ccc(C(=O)OCC(=O)N(C)C)cc2c1C.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
The InChIKey is CWWYHISQILZXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-10(2)16-13-6-5-11(7-12(9)13)15(19)20-8-14(18)17(3)4/h5-7,16H,8H2,1-4H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
[2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate is sourced from PubChem (CID 18080215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).