ethyl 3-acetamido-5,6-dimethoxy-1-(2-oxopropyl)indole-2-carboxylate

C18H22N2O6 — CID 20885069

IUPACethyl 3-acetamido-5,6-dimethoxy-1-(2-oxopropyl)indole-2-carboxylate
SMILESCCOC(=O)c1c(NC(C)=O)c2cc(OC)c(OC)cc2n1CC(C)=O
InChIInChI=1S/C18H22N2O6/c1-6-26-18(23)17-16(19-11(3)22)12-7-14(24-4)15(25-5)8-13(12)20(17)9-10(2)21/h7-8H,6,9H2,1-5H3,(H,19,22)
InChIKeyMAJLBKREXSOBGM-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.38
Rot. Bonds7

About ethyl 3-acetamido-5,6-dimethoxy-1-(2-oxopropyl)indole-2-carboxylate

ethyl 3-acetamido-5,6-dimethoxy-1-(2-oxopropyl)indole-2-carboxylate (PubChem CID 20885069) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is ethyl 3-acetamido-5,6-dimethoxy-1-(2-oxopropyl)indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-acetamido-5,6-dimethoxy-1-(2-oxopropyl)indole-2-carboxylate
PubChem CID20885069
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Nameethyl 3-acetamido-5,6-dimethoxy-1-(2-oxopropyl)indole-2-carboxylate
SMILESCCOC(=O)c1c(NC(C)=O)c2cc(OC)c(OC)cc2n1CC(C)=O
InChIInChI=1S/C18H22N2O6/c1-6-26-18(23)17-16(19-11(3)22)12-7-14(24-4)15(25-5)8-13(12)20(17)9-10(2)21/h7-8H,6,9H2,1-5H3,(H,19,22)
InChIKeyMAJLBKREXSOBGM-UHFFFAOYSA-N
XLogP2.38
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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ethyl 1-but-2-ynyl-4-hydroxy-6,7-dimethoxy-2-oxoquinoline-3-carboxylate
CID 54737980
ethyl 1-[3-ethoxycarbonyl-5,6,9,10-tetramethoxy-2-[(2S)-2-methylbutyl]phenanthro[9,10-c]pyrrol-1-yl]-5,6,9,10-tetramethoxy-2-[(2S)-2-methylbutyl]phenanthro[9,10-c]pyrrole-3-carboxylate
CID 71559410
1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
CID 11402920
methyl 3,5-dimethyl-1-(2-oxopropyl)pyrrole-2-carboxylate
CID 112710159
4-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-4-oxobutanoic acid
CID 20885070
[2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium
CID 2002344
ethyl 3-(1,3-benzodioxole-5-carbonylamino)-5,6-dimethoxy-1H-indole-2-carboxylate
CID 663337
N-(2,6-difluoro-3,5-dimethoxyphenyl)acetamide
CID 150969889
5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one
CID 10405159
ethyl 1-(1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-4-ylamino)-5,6-dimethoxyindole-2-carboxylate
CID 166606933

Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetamido-5,6-dimethoxy-1-(2-oxopropyl)indole-2-carboxylate?
The IUPAC name of ethyl 3-acetamido-5,6-dimethoxy-1-(2-oxopropyl)indole-2-carboxylate (CID 20885069) is ethyl 3-acetamido-5,6-dimethoxy-1-(2-oxopropyl)indole-2-carboxylate.
What is the SMILES notation for ethyl 3-acetamido-5,6-dimethoxy-1-(2-oxopropyl)indole-2-carboxylate?
The canonical SMILES for ethyl 3-acetamido-5,6-dimethoxy-1-(2-oxopropyl)indole-2-carboxylate is CCOC(=O)c1c(NC(C)=O)c2cc(OC)c(OC)cc2n1CC(C)=O.
What is the InChIKey of ethyl 3-acetamido-5,6-dimethoxy-1-(2-oxopropyl)indole-2-carboxylate?
The InChIKey is MAJLBKREXSOBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-6-26-18(23)17-16(19-11(3)22)12-7-14(24-4)15(25-5)8-13(12)20(17)9-10(2)21/h7-8H,6,9H2,1-5H3,(H,19,22).
What are the key properties of ethyl 3-acetamido-5,6-dimethoxy-1-(2-oxopropyl)indole-2-carboxylate?
ethyl 3-acetamido-5,6-dimethoxy-1-(2-oxopropyl)indole-2-carboxylate has a molecular weight of 362.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetamido-5,6-dimethoxy-1-(2-oxopropyl)indole-2-carboxylate is sourced from PubChem (CID 20885069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).