benzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate

C26H25NO3 — CID 10573011

IUPACbenzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate
SMILESCc1cc2c(O[C@H](C)C(=O)OCc3ccccc3)cccc2n1Cc1ccccc1
InChIInChI=1S/C26H25NO3/c1-19-16-23-24(27(19)17-21-10-5-3-6-11-21)14-9-15-25(23)30-20(2)26(28)29-18-22-12-7-4-8-13-22/h3-16,20H,17-18H2,1-2H3/t20-/m1/s1
InChIKeyYHZPEWDZTXBGTI-HXUWFJFHSA-N
MW399.49 g/mol
LogP5.51
Rot. Bonds7

About benzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate

benzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate (PubChem CID 10573011) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is benzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate
PubChem CID10573011
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Namebenzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate
SMILESCc1cc2c(O[C@H](C)C(=O)OCc3ccccc3)cccc2n1Cc1ccccc1
InChIInChI=1S/C26H25NO3/c1-19-16-23-24(27(19)17-21-10-5-3-6-11-21)14-9-15-25(23)30-20(2)26(28)29-18-22-12-7-4-8-13-22/h3-16,20H,17-18H2,1-2H3/t20-/m1/s1
InChIKeyYHZPEWDZTXBGTI-HXUWFJFHSA-N
XLogP5.51
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(1-benzyl-2-methylindol-4-yl)oxy-4-methylpentanoate
CID 59170301
dibenzyl 2-[(1-benzyl-2-methylindol-4-yl)methyl]propanedioate
CID 71193811
benzyl (2S)-2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoate
CID 10552313
2-[2-methyl-1-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]indol-4-yl]oxyacetic acid
CID 68910046
methyl 2-(1-benzyl-2-methylindol-4-yl)oxy-2-cyclohexa-1,5-dien-1-ylacetate
CID 143459590
2-(1-benzyl-2-methylindol-4-yl)oxy-2-fluorobutanoic acid
CID 158658145
benzyl 2-(2-acetylphenoxy)propanoate
CID 82312028
dibenzyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanedioate
CID 59170305
1-ethyl-2-methyl-4-phenylmethoxyindole
CID 143459562
1-benzyl-4-(diethoxyphosphorylmethoxy)-2-methylindole
CID 58896000
benzyl 2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)acetate
CID 175327840
[1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone
CID 93077137

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate?
The IUPAC name of benzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate (CID 10573011) is benzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate.
What is the SMILES notation for benzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate?
The canonical SMILES for benzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate is Cc1cc2c(O[C@H](C)C(=O)OCc3ccccc3)cccc2n1Cc1ccccc1.
What is the InChIKey of benzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate?
The InChIKey is YHZPEWDZTXBGTI-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H25NO3/c1-19-16-23-24(27(19)17-21-10-5-3-6-11-21)14-9-15-25(23)30-20(2)26(28)29-18-22-12-7-4-8-13-22/h3-16,20H,17-18H2,1-2H3/t20-/m1/s1.
What are the key properties of benzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate?
benzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate has a molecular weight of 399.49 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate is sourced from PubChem (CID 10573011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).