N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide

C18H18N2O2 — CID 112522704

IUPACN-(2-ethoxyphenyl)-1-methylindole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cccc2c1ccn2C
InChIInChI=1S/C18H18N2O2/c1-3-22-17-10-5-4-8-15(17)19-18(21)14-7-6-9-16-13(14)11-12-20(16)2/h4-12H,3H2,1-2H3,(H,19,21)
InChIKeyXRUNOHDRJDSERP-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.83
Rot. Bonds4

About N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide

N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide (PubChem CID 112522704) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-methylindole-4-carboxamide
PubChem CID112522704
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(2-ethoxyphenyl)-1-methylindole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cccc2c1ccn2C
InChIInChI=1S/C18H18N2O2/c1-3-22-17-10-5-4-8-15(17)19-18(21)14-7-6-9-16-13(14)11-12-20(16)2/h4-12H,3H2,1-2H3,(H,19,21)
InChIKeyXRUNOHDRJDSERP-UHFFFAOYSA-N
XLogP3.83
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-methyl-N-(1-methylimidazol-2-yl)indole-4-carboxamide
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N-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
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2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide (CID 112522704) is N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide is CCOc1ccccc1NC(=O)c1cccc2c1ccn2C.
What is the InChIKey of N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide?
The InChIKey is XRUNOHDRJDSERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-22-17-10-5-4-8-15(17)19-18(21)14-7-6-9-16-13(14)11-12-20(16)2/h4-12H,3H2,1-2H3,(H,19,21).
What are the key properties of N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide?
N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide is sourced from PubChem (CID 112522704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).