ethane;ethyl 3-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]propanoate

C24H31NO4 — CID 143448184

IUPACethane;ethyl 3-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]propanoate
SMILESCC.CCOC(=O)CCc1[nH]c2cc(C)c(OC)cc2c1-c1ccc(OC)cc1
InChIInChI=1S/C22H25NO4.C2H6/c1-5-27-21(24)11-10-18-22(15-6-8-16(25-3)9-7-15)17-13-20(26-4)14(2)12-19(17)23-18;1-2/h6-9,12-13,23H,5,10-11H2,1-4H3;1-2H3
InChIKeySOYNTFCUCRSTMZ-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.68
Rot. Bonds7

About ethane;ethyl 3-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]propanoate

ethane;ethyl 3-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]propanoate (PubChem CID 143448184) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is ethane;ethyl 3-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]propanoate.

Molecular Properties

Compound Nameethane;ethyl 3-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]propanoate
PubChem CID143448184
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Nameethane;ethyl 3-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]propanoate
SMILESCC.CCOC(=O)CCc1[nH]c2cc(C)c(OC)cc2c1-c1ccc(OC)cc1
InChIInChI=1S/C22H25NO4.C2H6/c1-5-27-21(24)11-10-18-22(15-6-8-16(25-3)9-7-15)17-13-20(26-4)14(2)12-19(17)23-18;1-2/h6-9,12-13,23H,5,10-11H2,1-4H3;1-2H3
InChIKeySOYNTFCUCRSTMZ-UHFFFAOYSA-N
XLogP5.68
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 3-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]propanoate?
The IUPAC name of ethane;ethyl 3-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]propanoate (CID 143448184) is ethane;ethyl 3-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]propanoate.
What is the SMILES notation for ethane;ethyl 3-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]propanoate?
The canonical SMILES for ethane;ethyl 3-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]propanoate is CC.CCOC(=O)CCc1[nH]c2cc(C)c(OC)cc2c1-c1ccc(OC)cc1.
What is the InChIKey of ethane;ethyl 3-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]propanoate?
The InChIKey is SOYNTFCUCRSTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4.C2H6/c1-5-27-21(24)11-10-18-22(15-6-8-16(25-3)9-7-15)17-13-20(26-4)14(2)12-19(17)23-18;1-2/h6-9,12-13,23H,5,10-11H2,1-4H3;1-2H3.
What are the key properties of ethane;ethyl 3-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]propanoate?
ethane;ethyl 3-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]propanoate has a molecular weight of 397.52 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 3-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]propanoate is sourced from PubChem (CID 143448184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).