methyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate

C22H24N2O4 — CID 51156523

IUPACmethyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)CCCc2c[nH]c3ccccc23)ccc1OC
InChIInChI=1S/C22H24N2O4/c1-27-20-11-10-15(12-18(20)22(26)28-2)13-24-21(25)9-5-6-16-14-23-19-8-4-3-7-17(16)19/h3-4,7-8,10-12,14,23H,5-6,9,13H2,1-2H3,(H,24,25)
InChIKeyJRHBNTYMVIVSLN-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.60
Rot. Bonds8

About methyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate

methyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate (PubChem CID 51156523) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate
PubChem CID51156523
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namemethyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)CCCc2c[nH]c3ccccc23)ccc1OC
InChIInChI=1S/C22H24N2O4/c1-27-20-11-10-15(12-18(20)22(26)28-2)13-24-21(25)9-5-6-16-14-23-19-8-4-3-7-17(16)19/h3-4,7-8,10-12,14,23H,5-6,9,13H2,1-2H3,(H,24,25)
InChIKeyJRHBNTYMVIVSLN-UHFFFAOYSA-N
XLogP3.60
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate with MolForge

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 55659713
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18107803
methyl 5-[[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]methyl]-2-methoxybenzoate
CID 55413065
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2475685
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2495066
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide
CID 46671165
2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17433243
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate (CID 51156523) is methyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate is COC(=O)c1cc(CNC(=O)CCCc2c[nH]c3ccccc23)ccc1OC.
What is the InChIKey of methyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate?
The InChIKey is JRHBNTYMVIVSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-27-20-11-10-15(12-18(20)22(26)28-2)13-24-21(25)9-5-6-16-14-23-19-8-4-3-7-17(16)19/h3-4,7-8,10-12,14,23H,5-6,9,13H2,1-2H3,(H,24,25).
What are the key properties of methyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate?
methyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate has a molecular weight of 380.44 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate is sourced from PubChem (CID 51156523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).