2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone

C26H26N2O3 — CID 86728775

IUPAC2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone
SMILESCOCCn1cc(C(=O)C(Nc2cccc(OC)c2)c2ccccc2)c2ccccc21
InChIInChI=1S/C26H26N2O3/c1-30-16-15-28-18-23(22-13-6-7-14-24(22)28)26(29)25(19-9-4-3-5-10-19)27-20-11-8-12-21(17-20)31-2/h3-14,17-18,25,27H,15-16H2,1-2H3
InChIKeyCJDCGBVYDAVBPD-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.33
Rot. Bonds9

About 2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone

2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone (PubChem CID 86728775) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone
PubChem CID86728775
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone
SMILESCOCCn1cc(C(=O)C(Nc2cccc(OC)c2)c2ccccc2)c2ccccc21
InChIInChI=1S/C26H26N2O3/c1-30-16-15-28-18-23(22-13-6-7-14-24(22)28)26(29)25(19-9-4-3-5-10-19)27-20-11-8-12-21(17-20)31-2/h3-14,17-18,25,27H,15-16H2,1-2H3
InChIKeyCJDCGBVYDAVBPD-UHFFFAOYSA-N
XLogP5.33
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]indole-3-carboxamide
CID 47072758
2-(4-chlorophenyl)ethyl N-[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-1-phenylethyl]carbamate
CID 139416201
2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone
CID 86272430
1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
CID 86728829
2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone
CID 3393871
1-(2-methoxyethyl)-N-pyridin-3-ylindole-3-carboxamide
CID 71701698
4-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]butanoic acid
CID 119170603
1-(6-isocyano-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
CID 123459596
9-(2-methoxyethyl)-N-(3-methoxyphenyl)carbazole-2-carboxamide
CID 90731870
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449
2-[[[1-(2-methoxyethyl)indole-3-carbonyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119242888
1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide
CID 71883345

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone?
The IUPAC name of 2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone (CID 86728775) is 2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone.
What is the SMILES notation for 2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone?
The canonical SMILES for 2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone is COCCn1cc(C(=O)C(Nc2cccc(OC)c2)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone?
The InChIKey is CJDCGBVYDAVBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-30-16-15-28-18-23(22-13-6-7-14-24(22)28)26(29)25(19-9-4-3-5-10-19)27-20-11-8-12-21(17-20)31-2/h3-14,17-18,25,27H,15-16H2,1-2H3.
What are the key properties of 2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone?
2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone has a molecular weight of 414.51 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone is sourced from PubChem (CID 86728775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).