5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide

C19H20N2O3 — CID 88591940

IUPAC5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide
SMILESCc1ccc2c(Cc3ccc(C(=O)N=O)o3)c(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C19H20N2O3/c1-11-5-7-13-14(17(19(2,3)4)20-15(13)9-11)10-12-6-8-16(24-12)18(22)21-23/h5-9,20H,10H2,1-4H3
InChIKeyILRYPNGIEQSBBY-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.86
Rot. Bonds3

About 5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide

5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide (PubChem CID 88591940) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide
PubChem CID88591940
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide
SMILESCc1ccc2c(Cc3ccc(C(=O)N=O)o3)c(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C19H20N2O3/c1-11-5-7-13-14(17(19(2,3)4)20-15(13)9-11)10-12-6-8-16(24-12)18(22)21-23/h5-9,20H,10H2,1-4H3
InChIKeyILRYPNGIEQSBBY-UHFFFAOYSA-N
XLogP4.86
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide?
The IUPAC name of 5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide (CID 88591940) is 5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide.
What is the SMILES notation for 5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide?
The canonical SMILES for 5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide is Cc1ccc2c(Cc3ccc(C(=O)N=O)o3)c(C(C)(C)C)[nH]c2c1.
What is the InChIKey of 5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide?
The InChIKey is ILRYPNGIEQSBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-11-5-7-13-14(17(19(2,3)4)20-15(13)9-11)10-12-6-8-16(24-12)18(22)21-23/h5-9,20H,10H2,1-4H3.
What are the key properties of 5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide?
5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide is sourced from PubChem (CID 88591940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).