3-ethyl-6-methoxyindole-1-carboxamide

C12H14N2O2 — CID 173231943

IUPAC3-ethyl-6-methoxyindole-1-carboxamide
SMILESCCc1cn(C(N)=O)c2cc(OC)ccc12
InChIInChI=1S/C12H14N2O2/c1-3-8-7-14(12(13)15)11-6-9(16-2)4-5-10(8)11/h4-7H,3H2,1-2H3,(H2,13,15)
InChIKeyFUSMEQIXYLEATC-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.14
Rot. Bonds2

About 3-ethyl-6-methoxyindole-1-carboxamide

3-ethyl-6-methoxyindole-1-carboxamide (PubChem CID 173231943) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-ethyl-6-methoxyindole-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-6-methoxyindole-1-carboxamide
PubChem CID173231943
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-ethyl-6-methoxyindole-1-carboxamide
SMILESCCc1cn(C(N)=O)c2cc(OC)ccc12
InChIInChI=1S/C12H14N2O2/c1-3-8-7-14(12(13)15)11-6-9(16-2)4-5-10(8)11/h4-7H,3H2,1-2H3,(H2,13,15)
InChIKeyFUSMEQIXYLEATC-UHFFFAOYSA-N
XLogP2.14
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931038
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
4-ethyl-6-methoxy-2-methylisoquinolin-1-one
CID 115063438
methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930845
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931011
(1-ethyl-6-methoxyindol-3-yl)methanamine
CID 117122317
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
CID 83945193
3-isocyanato-5-methoxyindole-1-carboxamide
CID 86673801
(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931262
4-[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 168930906
tert-butyl 3-(2-formamidoethyl)-6-methoxyindole-1-carboxylate
CID 53474034
methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate
CID 71520642

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methoxyindole-1-carboxamide?
The IUPAC name of 3-ethyl-6-methoxyindole-1-carboxamide (CID 173231943) is 3-ethyl-6-methoxyindole-1-carboxamide.
What is the SMILES notation for 3-ethyl-6-methoxyindole-1-carboxamide?
The canonical SMILES for 3-ethyl-6-methoxyindole-1-carboxamide is CCc1cn(C(N)=O)c2cc(OC)ccc12.
What is the InChIKey of 3-ethyl-6-methoxyindole-1-carboxamide?
The InChIKey is FUSMEQIXYLEATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-8-7-14(12(13)15)11-6-9(16-2)4-5-10(8)11/h4-7H,3H2,1-2H3,(H2,13,15).
What are the key properties of 3-ethyl-6-methoxyindole-1-carboxamide?
3-ethyl-6-methoxyindole-1-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methoxyindole-1-carboxamide is sourced from PubChem (CID 173231943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).