2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide

C26H31N3O3 — CID 121240182

IUPAC2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide
SMILESCOCCn1ccc2c(OCC(=O)Nc3ccc4c(ccn4CCC(C)C)c3)cccc21
InChIInChI=1S/C26H31N3O3/c1-19(2)9-12-28-13-10-20-17-21(7-8-23(20)28)27-26(30)18-32-25-6-4-5-24-22(25)11-14-29(24)15-16-31-3/h4-8,10-11,13-14,17,19H,9,12,15-16,18H2,1-3H3,(H,27,30)
InChIKeyHIEBUYNRQJNQRR-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.31
Rot. Bonds10

About 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide

2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide (PubChem CID 121240182) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide
PubChem CID121240182
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide
SMILESCOCCn1ccc2c(OCC(=O)Nc3ccc4c(ccn4CCC(C)C)c3)cccc21
InChIInChI=1S/C26H31N3O3/c1-19(2)9-12-28-13-10-20-17-21(7-8-23(20)28)27-26(30)18-32-25-6-4-5-24-22(25)11-14-29(24)15-16-31-3/h4-8,10-11,13-14,17,19H,9,12,15-16,18H2,1-3H3,(H,27,30)
InChIKeyHIEBUYNRQJNQRR-UHFFFAOYSA-N
XLogP5.31
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239523
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide
CID 121238954
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 121240404
N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293315
N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293322
N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239263
methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate
CID 71934793
N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293316
1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide
CID 167911759
1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 71992317
2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid
CID 119235392
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 125123918

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide?
The IUPAC name of 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide (CID 121240182) is 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide is COCCn1ccc2c(OCC(=O)Nc3ccc4c(ccn4CCC(C)C)c3)cccc21.
What is the InChIKey of 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide?
The InChIKey is HIEBUYNRQJNQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-19(2)9-12-28-13-10-20-17-21(7-8-23(20)28)27-26(30)18-32-25-6-4-5-24-22(25)11-14-29(24)15-16-31-3/h4-8,10-11,13-14,17,19H,9,12,15-16,18H2,1-3H3,(H,27,30).
What are the key properties of 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide?
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide has a molecular weight of 433.55 g/mol, XLogP of 5.31, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide is sourced from PubChem (CID 121240182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).