methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate

C19H19NO3 — CID 10859841

IUPACmethyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
SMILESCOC(=O)Cc1cn(Cc2ccccc2)c2ccc(OC)cc12
InChIInChI=1S/C19H19NO3/c1-22-16-8-9-18-17(11-16)15(10-19(21)23-2)13-20(18)12-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3
InChIKeyBSBYPGSBTDUWIF-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.41
Rot. Bonds5

About methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate

methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate (PubChem CID 10859841) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
PubChem CID10859841
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
SMILESCOC(=O)Cc1cn(Cc2ccccc2)c2ccc(OC)cc12
InChIInChI=1S/C19H19NO3/c1-22-16-8-9-18-17(11-16)15(10-19(21)23-2)13-20(18)12-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3
InChIKeyBSBYPGSBTDUWIF-UHFFFAOYSA-N
XLogP3.41
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10667803
methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate
CID 83948380
2-[(1-benzyl-5-methoxyindol-3-yl)methylamino]-2-phenylacetic acid
CID 19796681
methyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate
CID 83944534
2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid
CID 67243201
(1-benzyl-5-methoxyindol-3-yl) acetate
CID 50941305
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
3-(1-benzylindol-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 4616420
N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide
CID 10926166
ethyl 4-[3-(2-amino-2-oxoethyl)-1-benzylindol-5-yl]oxybutanoate
CID 10548672
N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide
CID 10248227
2-[1-benzyl-5-[3-(3-phenoxyphenoxy)propoxy]indol-3-yl]acetic acid
CID 122183553

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate?
The IUPAC name of methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate (CID 10859841) is methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate.
What is the SMILES notation for methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate?
The canonical SMILES for methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate is COC(=O)Cc1cn(Cc2ccccc2)c2ccc(OC)cc12.
What is the InChIKey of methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate?
The InChIKey is BSBYPGSBTDUWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-22-16-8-9-18-17(11-16)15(10-19(21)23-2)13-20(18)12-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3.
What are the key properties of methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate?
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate has a molecular weight of 309.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate is sourced from PubChem (CID 10859841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).