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

C25H23NO3 — CID 10667803

IUPACbenzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
SMILESCOc1ccc2c(c1)c(CC(=O)OCc1ccccc1)cn2Cc1ccccc1
InChIInChI=1S/C25H23NO3/c1-28-22-12-13-24-23(15-22)21(17-26(24)16-19-8-4-2-5-9-19)14-25(27)29-18-20-10-6-3-7-11-20/h2-13,15,17H,14,16,18H2,1H3
InChIKeyIIISKKWBXAHEHT-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.98
Rot. Bonds7

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

benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate (PubChem CID 10667803) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
PubChem CID10667803
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Namebenzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
SMILESCOc1ccc2c(c1)c(CC(=O)OCc1ccccc1)cn2Cc1ccccc1
InChIInChI=1S/C25H23NO3/c1-28-22-12-13-24-23(15-22)21(17-26(24)16-19-8-4-2-5-9-19)14-25(27)29-18-20-10-6-3-7-11-20/h2-13,15,17H,14,16,18H2,1H3
InChIKeyIIISKKWBXAHEHT-UHFFFAOYSA-N
XLogP4.98
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
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-benzyl-5-methoxyindol-3-yl)methylamino]-2-phenylacetic acid
CID 19796681
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate
CID 83948380
4-[[3-(2-aminoethyl)-5-[(3-methoxyphenyl)methoxy]indol-1-yl]methyl]benzoic acid
CID 70053001
ethyl 4-[3-(2-amino-2-oxoethyl)-1-benzylindol-5-yl]oxybutanoate
CID 10548672
ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate
CID 10831090
2-[1-benzyl-5-[3-[3-[(4-methylphenyl)methoxy]phenoxy]propoxy]indol-3-yl]acetic acid
CID 122183538
benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate
CID 102166837
benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate?
The IUPAC name of benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate (CID 10667803) is benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate.
What is the SMILES notation for benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate?
The canonical SMILES for benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate is COc1ccc2c(c1)c(CC(=O)OCc1ccccc1)cn2Cc1ccccc1.
What is the InChIKey of benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate?
The InChIKey is IIISKKWBXAHEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-28-22-12-13-24-23(15-22)21(17-26(24)16-19-8-4-2-5-9-19)14-25(27)29-18-20-10-6-3-7-11-20/h2-13,15,17H,14,16,18H2,1H3.
What are the key properties of benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate?
benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate has a molecular weight of 385.46 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate is sourced from PubChem (CID 10667803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).