1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide

C20H22N2O4 — CID 18587976

IUPAC1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCCOc1ccc(OCC(=O)N2c3ccccc3CC2C(=O)NC)cc1
InChIInChI=1S/C20H22N2O4/c1-3-25-15-8-10-16(11-9-15)26-13-19(23)22-17-7-5-4-6-14(17)12-18(22)20(24)21-2/h4-11,18H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyARBZLRCLVZYNEO-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.17
Rot. Bonds6

About 1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide

1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 18587976) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID18587976
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCCOc1ccc(OCC(=O)N2c3ccccc3CC2C(=O)NC)cc1
InChIInChI=1S/C20H22N2O4/c1-3-25-15-8-10-16(11-9-15)26-13-19(23)22-17-7-5-4-6-14(17)12-18(22)20(24)21-2/h4-11,18H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyARBZLRCLVZYNEO-UHFFFAOYSA-N
XLogP2.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (CID 18587976) is 1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is CCOc1ccc(OCC(=O)N2c3ccccc3CC2C(=O)NC)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is ARBZLRCLVZYNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-25-15-8-10-16(11-9-15)26-13-19(23)22-17-7-5-4-6-14(17)12-18(22)20(24)21-2/h4-11,18H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of 1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 18587976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).