methyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate

C15H18N2O4 — CID 4777687

IUPACmethyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate
SMILESCCOc1ccc2c(c1)c(NC(C)=O)c(C(=O)OC)n2C
InChIInChI=1S/C15H18N2O4/c1-5-21-10-6-7-12-11(8-10)13(16-9(2)18)14(17(12)3)15(19)20-4/h6-8H,5H2,1-4H3,(H,16,18)
InChIKeyGCQCHNFHCRRNOF-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.32
Rot. Bonds4

About methyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate

methyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate (PubChem CID 4777687) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate
PubChem CID4777687
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate
SMILESCCOc1ccc2c(c1)c(NC(C)=O)c(C(=O)OC)n2C
InChIInChI=1S/C15H18N2O4/c1-5-21-10-6-7-12-11(8-10)13(16-9(2)18)14(17(12)3)15(19)20-4/h6-8H,5H2,1-4H3,(H,16,18)
InChIKeyGCQCHNFHCRRNOF-UHFFFAOYSA-N
XLogP2.32
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-acetamido-1-methyl-5-phenylmethoxyindole-2-carboxylate
CID 4777725
methyl 5-ethoxy-1-methylindole-2-carboxylate
CID 4777688
1-(5-ethoxy-1-methylindol-3-yl)propan-2-one
CID 82495412
ethyl 3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1-methylindole-2-carboxylate
CID 3814896
ethyl 3-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1-methylindole-2-carboxylate
CID 5112312
(E)-3-(5-ethoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 82500275
methyl 3-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoylamino]-1-methylindole-2-carboxylate
CID 154796416
1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine
CID 84632447
N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915835
2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde
CID 82268916
N-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide
CID 12616715
dimethyl 5-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 110503972

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate?
The IUPAC name of methyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate (CID 4777687) is methyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate.
What is the SMILES notation for methyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate?
The canonical SMILES for methyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate is CCOc1ccc2c(c1)c(NC(C)=O)c(C(=O)OC)n2C.
What is the InChIKey of methyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate?
The InChIKey is GCQCHNFHCRRNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-5-21-10-6-7-12-11(8-10)13(16-9(2)18)14(17(12)3)15(19)20-4/h6-8H,5H2,1-4H3,(H,16,18).
What are the key properties of methyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate?
methyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate is sourced from PubChem (CID 4777687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).