methyl 2-(1-benzyl-2-cyclopropylindol-4-yl)oxyacetate

C21H21NO3 — CID 10568807

IUPACmethyl 2-(1-benzyl-2-cyclopropylindol-4-yl)oxyacetate
SMILESCOC(=O)COc1cccc2c1cc(C1CC1)n2Cc1ccccc1
InChIInChI=1S/C21H21NO3/c1-24-21(23)14-25-20-9-5-8-18-17(20)12-19(16-10-11-16)22(18)13-15-6-3-2-4-7-15/h2-9,12,16H,10-11,13-14H2,1H3
InChIKeyLRUDTJDYOSFLAY-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.12
Rot. Bonds6

About methyl 2-(1-benzyl-2-cyclopropylindol-4-yl)oxyacetate

methyl 2-(1-benzyl-2-cyclopropylindol-4-yl)oxyacetate (PubChem CID 10568807) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl 2-(1-benzyl-2-cyclopropylindol-4-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(1-benzyl-2-cyclopropylindol-4-yl)oxyacetate
PubChem CID10568807
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Namemethyl 2-(1-benzyl-2-cyclopropylindol-4-yl)oxyacetate
SMILESCOC(=O)COc1cccc2c1cc(C1CC1)n2Cc1ccccc1
InChIInChI=1S/C21H21NO3/c1-24-21(23)14-25-20-9-5-8-18-17(20)12-19(16-10-11-16)22(18)13-15-6-3-2-4-7-15/h2-9,12,16H,10-11,13-14H2,1H3
InChIKeyLRUDTJDYOSFLAY-UHFFFAOYSA-N
XLogP4.12
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzyl-2-cyclopropylindol-4-yl)oxyacetate?
The IUPAC name of methyl 2-(1-benzyl-2-cyclopropylindol-4-yl)oxyacetate (CID 10568807) is methyl 2-(1-benzyl-2-cyclopropylindol-4-yl)oxyacetate.
What is the SMILES notation for methyl 2-(1-benzyl-2-cyclopropylindol-4-yl)oxyacetate?
The canonical SMILES for methyl 2-(1-benzyl-2-cyclopropylindol-4-yl)oxyacetate is COC(=O)COc1cccc2c1cc(C1CC1)n2Cc1ccccc1.
What is the InChIKey of methyl 2-(1-benzyl-2-cyclopropylindol-4-yl)oxyacetate?
The InChIKey is LRUDTJDYOSFLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-24-21(23)14-25-20-9-5-8-18-17(20)12-19(16-10-11-16)22(18)13-15-6-3-2-4-7-15/h2-9,12,16H,10-11,13-14H2,1H3.
What are the key properties of methyl 2-(1-benzyl-2-cyclopropylindol-4-yl)oxyacetate?
methyl 2-(1-benzyl-2-cyclopropylindol-4-yl)oxyacetate has a molecular weight of 335.40 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzyl-2-cyclopropylindol-4-yl)oxyacetate is sourced from PubChem (CID 10568807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).