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

C20H22N2O4 — CID 41428952

IUPAC(2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCCOc1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C(=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)/t18-/m1/s1
InChIKeyARBZLRCLVZYNEO-GOSISDBHSA-N
MW354.41 g/mol
LogP2.17
Rot. Bonds6

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

(2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 41428952) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID41428952
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCCOc1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C(=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)/t18-/m1/s1
InChIKeyARBZLRCLVZYNEO-GOSISDBHSA-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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Related Compounds

(2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428965
(2R)-N-methyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
CID 41428946
(2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
CID 41429074
methyl (2R)-1-[2-(4-bromophenoxy)acetyl]-2,3-dihydroindole-2-carboxylate
CID 52504702
(2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41429031
5-bromo-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 122192216
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273989
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982
(2S)-1-(2-ethoxyacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 28779680
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (CID 41428952) is (2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is CCOc1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C(=O)NC)cc1.
What is the InChIKey of (2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is ARBZLRCLVZYNEO-GOSISDBHSA-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)/t18-/m1/s1.
What are the key properties of (2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
(2R)-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 (2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 41428952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).