methyl 3-acetamido-4,7-dimethyl-1H-indole-2-carboxylate

C14H16N2O3 — CID 54254134

IUPACmethyl 3-acetamido-4,7-dimethyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(C)ccc(C)c2c1NC(C)=O
InChIInChI=1S/C14H16N2O3/c1-7-5-6-8(2)11-10(7)12(15-9(3)17)13(16-11)14(18)19-4/h5-6,16H,1-4H3,(H,15,17)
InChIKeyQYVBLENVTYCGOJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.53
Rot. Bonds2

About methyl 3-acetamido-4,7-dimethyl-1H-indole-2-carboxylate

methyl 3-acetamido-4,7-dimethyl-1H-indole-2-carboxylate (PubChem CID 54254134) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 3-acetamido-4,7-dimethyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-acetamido-4,7-dimethyl-1H-indole-2-carboxylate
PubChem CID54254134
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 3-acetamido-4,7-dimethyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(C)ccc(C)c2c1NC(C)=O
InChIInChI=1S/C14H16N2O3/c1-7-5-6-8(2)11-10(7)12(15-9(3)17)13(16-11)14(18)19-4/h5-6,16H,1-4H3,(H,15,17)
InChIKeyQYVBLENVTYCGOJ-UHFFFAOYSA-N
XLogP2.53
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4,7-dimethyl-3-(nitrosomethyl)-1H-indole-2-carboxylate
CID 54262661
3-methoxycarbonyl-4,7-dimethyl-1H-indole-2-carboxylic acid
CID 54301666
methyl 2-acetamido-3-hydroxy-4-methylbenzoate
CID 139590400
methyl 3,4-dimethyl-1H-indole-2-carboxylate
CID 151780672
3-acetyl-4,7-dimethyl-1H-indole-2-carboxylic acid
CID 84626563
3,4,7-trimethyl-1H-indole-2-carboxylate
CID 7219762
4,7-dimethyl-3-propan-2-yl-1H-indole-2-carboxylic acid
CID 84626604
methyl 3-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-methyl-1H-indole-2-carboxylate
CID 2048187
methyl 3-acetamido-4-phenyl-1H-pyrrole-2-carboxylate
CID 95915732
methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate
CID 114252907
methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
CID 7714437
methyl 4-bromo-7-methyl-1H-indole-3-carboxylate
CID 130049659

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetamido-4,7-dimethyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-acetamido-4,7-dimethyl-1H-indole-2-carboxylate (CID 54254134) is methyl 3-acetamido-4,7-dimethyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-acetamido-4,7-dimethyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-acetamido-4,7-dimethyl-1H-indole-2-carboxylate is COC(=O)c1[nH]c2c(C)ccc(C)c2c1NC(C)=O.
What is the InChIKey of methyl 3-acetamido-4,7-dimethyl-1H-indole-2-carboxylate?
The InChIKey is QYVBLENVTYCGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-7-5-6-8(2)11-10(7)12(15-9(3)17)13(16-11)14(18)19-4/h5-6,16H,1-4H3,(H,15,17).
What are the key properties of methyl 3-acetamido-4,7-dimethyl-1H-indole-2-carboxylate?
methyl 3-acetamido-4,7-dimethyl-1H-indole-2-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetamido-4,7-dimethyl-1H-indole-2-carboxylate is sourced from PubChem (CID 54254134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).