5-tert-butyl-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-indene-2-carboxamide

C20H29NO2 — CID 159316829

IUPAC5-tert-butyl-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-indene-2-carboxamide
SMILESCC(C)(C)c1ccc2c(c1)C=C(C(=O)NC(CO)C(C)(C)C)C2
InChIInChI=1S/C20H29NO2/c1-19(2,3)16-8-7-13-9-15(10-14(13)11-16)18(23)21-17(12-22)20(4,5)6/h7-8,10-11,17,22H,9,12H2,1-6H3,(H,21,23)
InChIKeyVSOWQXIVRIZXCO-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.45
Rot. Bonds3

About 5-tert-butyl-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-indene-2-carboxamide

5-tert-butyl-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-indene-2-carboxamide (PubChem CID 159316829) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 5-tert-butyl-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-indene-2-carboxamide
PubChem CID159316829
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name5-tert-butyl-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-indene-2-carboxamide
SMILESCC(C)(C)c1ccc2c(c1)C=C(C(=O)NC(CO)C(C)(C)C)C2
InChIInChI=1S/C20H29NO2/c1-19(2,3)16-8-7-13-9-15(10-14(13)11-16)18(23)21-17(12-22)20(4,5)6/h7-8,10-11,17,22H,9,12H2,1-6H3,(H,21,23)
InChIKeyVSOWQXIVRIZXCO-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-indene-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-indene-2-carboxamide (CID 159316829) is 5-tert-butyl-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-indene-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-indene-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-indene-2-carboxamide is CC(C)(C)c1ccc2c(c1)C=C(C(=O)NC(CO)C(C)(C)C)C2.
What is the InChIKey of 5-tert-butyl-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-indene-2-carboxamide?
The InChIKey is VSOWQXIVRIZXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-19(2,3)16-8-7-13-9-15(10-14(13)11-16)18(23)21-17(12-22)20(4,5)6/h7-8,10-11,17,22H,9,12H2,1-6H3,(H,21,23).
What are the key properties of 5-tert-butyl-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-indene-2-carboxamide?
5-tert-butyl-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-indene-2-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-indene-2-carboxamide is sourced from PubChem (CID 159316829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).