ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate

C14H16N2O3 — CID 115141911

IUPACethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H16N2O3/c1-4-19-14(18)13(17)16(3)12-9(2)15-11-8-6-5-7-10(11)12/h5-8,15H,4H2,1-3H3
InChIKeyVGAIFVFXLHXNHD-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.00
Rot. Bonds2

About ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate

ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate (PubChem CID 115141911) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate
PubChem CID115141911
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H16N2O3/c1-4-19-14(18)13(17)16(3)12-9(2)15-11-8-6-5-7-10(11)12/h5-8,15H,4H2,1-3H3
InChIKeyVGAIFVFXLHXNHD-UHFFFAOYSA-N
XLogP2.00
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide
CID 115167052
2-hydroxy-N,2-dimethyl-N-(2-methyl-1H-indol-3-yl)propanamide
CID 115178660
ethyl 2-[(2-amino-1-benzothiophen-3-yl)-methylamino]-2-oxoacetate
CID 14868516
1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 115182147
3-[methyl-(2-methyl-1H-indol-3-yl)amino]butanoic acid
CID 117042118
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
ethyl 2-(2-tert-butyl-1H-indol-3-yl)-2-oxoacetate
CID 12904507
2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid
CID 115136494
N-[4-(aminomethyl)phenyl]-N,2-dimethyl-1H-indol-3-amine
CID 117041626
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
ethyl 2-(dimethylaminomethylideneamino)-1H-indole-3-carboxylate
CID 23818790
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate (CID 115141911) is ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate is CCOC(=O)C(=O)N(C)c1c(C)[nH]c2ccccc12.
What is the InChIKey of ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate?
The InChIKey is VGAIFVFXLHXNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-4-19-14(18)13(17)16(3)12-9(2)15-11-8-6-5-7-10(11)12/h5-8,15H,4H2,1-3H3.
What are the key properties of ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate?
ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate has a molecular weight of 260.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate is sourced from PubChem (CID 115141911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).