[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate

C20H19NO4 — CID 2541660

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C20H19NO4/c1-24-18-9-5-3-7-16(18)10-11-20(23)25-14-19(22)21-13-12-15-6-2-4-8-17(15)21/h2-11H,12-14H2,1H3/b11-10+
InChIKeyQGUFUEBGEGUSRQ-ZHACJKMWSA-N
MW337.38 g/mol
LogP2.84
Rot. Bonds5

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 2541660) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
PubChem CID2541660
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C20H19NO4/c1-24-18-9-5-3-7-16(18)10-11-20(23)25-14-19(22)21-13-12-15-6-2-4-8-17(15)21/h2-11H,12-14H2,1H3/b11-10+
InChIKeyQGUFUEBGEGUSRQ-ZHACJKMWSA-N
XLogP2.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydroquinolin-1(2H)-yl)-2-(o-tolyloxy)ethanone
CID 724133
1-(2,3-Dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone
CID 833324
5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one
CID 851216
1-[2-(2-Methoxyphenoxy)propanoyl]indoline
CID 4943179
6-(2-(indolin-1-yl)-2-oxoethoxy)-4-methyl-2H-chromen-2-one
CID 661971
1-(Phenoxyacetyl)indoline
CID 730643
3-(2,3-Dihydro-indole-1-carbonyl)-6-methoxy-chromen-2-one
CID 653307
1-[(4-Methylphenoxy)acetyl]indoline
CID 674915
7-[2-(2,3-Dihydro-indol-1-yl)-2-oxo-ethoxy]-4-propyl-chromen-2-one
CID 1079186
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 2121350
3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2(3H)-one
CID 2145509
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2365388

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate (CID 2541660) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate is COc1ccccc1/C=C/C(=O)OCC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is QGUFUEBGEGUSRQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H19NO4/c1-24-18-9-5-3-7-16(18)10-11-20(23)25-14-19(22)21-13-12-15-6-2-4-8-17(15)21/h2-11H,12-14H2,1H3/b11-10+.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 337.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 2541660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).