1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide

C21H22N2O4 — CID 71604853

IUPAC1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c(C(N)=O)cn2C
InChIInChI=1S/C21H22N2O4/c1-12(14-9-18(25-3)20(27-5)19(10-14)26-4)13-6-7-17-15(8-13)16(21(22)24)11-23(17)2/h6-11H,1H2,2-5H3,(H2,22,24)
InChIKeyQLZAPAJHMZMKST-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.36
Rot. Bonds6

About 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide

1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide (PubChem CID 71604853) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide
PubChem CID71604853
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c(C(N)=O)cn2C
InChIInChI=1S/C21H22N2O4/c1-12(14-9-18(25-3)20(27-5)19(10-14)26-4)13-6-7-17-15(8-13)16(21(22)24)11-23(17)2/h6-11H,1H2,2-5H3,(H2,22,24)
InChIKeyQLZAPAJHMZMKST-UHFFFAOYSA-N
XLogP3.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide?
The IUPAC name of 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide (CID 71604853) is 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide?
The canonical SMILES for 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide is C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c(C(N)=O)cn2C.
What is the InChIKey of 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide?
The InChIKey is QLZAPAJHMZMKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-12(14-9-18(25-3)20(27-5)19(10-14)26-4)13-6-7-17-15(8-13)16(21(22)24)11-23(17)2/h6-11H,1H2,2-5H3,(H2,22,24).
What are the key properties of 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide?
1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide is sourced from PubChem (CID 71604853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).