methyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate

C24H28N2O4 — CID 10364106

IUPACmethyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cc2c[nH]c3ccc(C(=O)NCCC(C)C)cc23)c(OC)c1
InChIInChI=1S/C24H28N2O4/c1-15(2)9-10-25-23(27)17-7-8-21-20(12-17)19(14-26-21)11-16-5-6-18(24(28)30-4)13-22(16)29-3/h5-8,12-15,26H,9-11H2,1-4H3,(H,25,27)
InChIKeyAMLHKHGGVWJGTQ-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.33
Rot. Bonds8

About methyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate

methyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate (PubChem CID 10364106) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is methyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate
PubChem CID10364106
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Namemethyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cc2c[nH]c3ccc(C(=O)NCCC(C)C)cc23)c(OC)c1
InChIInChI=1S/C24H28N2O4/c1-15(2)9-10-25-23(27)17-7-8-21-20(12-17)19(14-26-21)11-16-5-6-18(24(28)30-4)13-22(16)29-3/h5-8,12-15,26H,9-11H2,1-4H3,(H,25,27)
InChIKeyAMLHKHGGVWJGTQ-UHFFFAOYSA-N
XLogP4.33
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate with MolForge

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Related Compounds

methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate
CID 11100285
methyl 4-[[5-(2-ethylhexanoylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoate
CID 23365894
N-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide
CID 175583205
methyl 4-[(5-bromo-6-nitro-1H-indol-3-yl)methyl]-3-methoxybenzoate
CID 70474471
methyl 4-[[5-[(2-cyclopentylacetyl)amino]-1H-indol-3-yl]methyl]-3-methoxybenzoate
CID 23365836
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
methyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate
CID 10071716
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
methyl 3-methoxy-4-[[1-methyl-5-(2-methyloctylcarbamoyl)indol-3-yl]methyl]benzoate
CID 10412800
4-amino-3-methoxy-N-(4-methylpentyl)benzamide
CID 104782675
N-(3-hydroxybutyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 111433362
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate?
The IUPAC name of methyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate (CID 10364106) is methyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate.
What is the SMILES notation for methyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate?
The canonical SMILES for methyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate is COC(=O)c1ccc(Cc2c[nH]c3ccc(C(=O)NCCC(C)C)cc23)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate?
The InChIKey is AMLHKHGGVWJGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-15(2)9-10-25-23(27)17-7-8-21-20(12-17)19(14-26-21)11-16-5-6-18(24(28)30-4)13-22(16)29-3/h5-8,12-15,26H,9-11H2,1-4H3,(H,25,27).
What are the key properties of methyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate?
methyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate has a molecular weight of 408.50 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate is sourced from PubChem (CID 10364106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).