methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate

C21H23NO4 — CID 110672592

IUPACmethyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate
SMILESCCOc1ccc(CC(=O)N2CC(CC(=O)OC)c3ccccc32)cc1
InChIInChI=1S/C21H23NO4/c1-3-26-17-10-8-15(9-11-17)12-20(23)22-14-16(13-21(24)25-2)18-6-4-5-7-19(18)22/h4-11,16H,3,12-14H2,1-2H3
InChIKeyFUYYCZUYOFHPSY-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.32
Rot. Bonds6

About methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate

methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate (PubChem CID 110672592) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate
PubChem CID110672592
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Namemethyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate
SMILESCCOc1ccc(CC(=O)N2CC(CC(=O)OC)c3ccccc32)cc1
InChIInChI=1S/C21H23NO4/c1-3-26-17-10-8-15(9-11-17)12-20(23)22-14-16(13-21(24)25-2)18-6-4-5-7-19(18)22/h4-11,16H,3,12-14H2,1-2H3
InChIKeyFUYYCZUYOFHPSY-UHFFFAOYSA-N
XLogP3.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate
CID 110672730
methyl 2-[1-(4-methylbenzoyl)-2,3-dihydroindol-3-yl]acetate
CID 52988793
methyl 2-[(3S)-1-(4-methylbenzoyl)-2,3-dihydroindol-3-yl]acetate
CID 52904842
methyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate
CID 71032368
ethyl 2-[1-(6-aminohexanoyl)-2,3-dihydroindol-3-yl]acetate
CID 139389682
methyl 2-[1-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroindol-3-yl]acetate
CID 110672711
methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate
CID 110672619
methyl 2-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-3-yl]acetate
CID 110672713
methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate
CID 110672601
2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80572291
methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate
CID 146137347
1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate (CID 110672592) is methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate is CCOc1ccc(CC(=O)N2CC(CC(=O)OC)c3ccccc32)cc1.
What is the InChIKey of methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate?
The InChIKey is FUYYCZUYOFHPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-3-26-17-10-8-15(9-11-17)12-20(23)22-14-16(13-21(24)25-2)18-6-4-5-7-19(18)22/h4-11,16H,3,12-14H2,1-2H3.
What are the key properties of methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate?
methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate has a molecular weight of 353.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate is sourced from PubChem (CID 110672592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).