ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate

C22H23NO4 — CID 1082711

IUPACethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate
SMILESCCOC(=O)COc1ccc2c(c1)c(C(C)=O)c(C)n2Cc1ccccc1
InChIInChI=1S/C22H23NO4/c1-4-26-21(25)14-27-18-10-11-20-19(12-18)22(16(3)24)15(2)23(20)13-17-8-6-5-7-9-17/h5-12H,4,13-14H2,1-3H3
InChIKeyFRTOIKLNGBTOPS-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.14
Rot. Bonds7

About ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate

ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate (PubChem CID 1082711) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate
PubChem CID1082711
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Nameethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate
SMILESCCOC(=O)COc1ccc2c(c1)c(C(C)=O)c(C)n2Cc1ccccc1
InChIInChI=1S/C22H23NO4/c1-4-26-21(25)14-27-18-10-11-20-19(12-18)22(16(3)24)15(2)23(20)13-17-8-6-5-7-9-17/h5-12H,4,13-14H2,1-3H3
InChIKeyFRTOIKLNGBTOPS-UHFFFAOYSA-N
XLogP4.14
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate?
The IUPAC name of ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate (CID 1082711) is ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate?
The canonical SMILES for ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate is CCOC(=O)COc1ccc2c(c1)c(C(C)=O)c(C)n2Cc1ccccc1.
What is the InChIKey of ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate?
The InChIKey is FRTOIKLNGBTOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-4-26-21(25)14-27-18-10-11-20-19(12-18)22(16(3)24)15(2)23(20)13-17-8-6-5-7-9-17/h5-12H,4,13-14H2,1-3H3.
What are the key properties of ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate?
ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate has a molecular weight of 365.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate is sourced from PubChem (CID 1082711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).