N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-hydroxyacetamide

C15H22N2O2 — CID 82585082

IUPACN-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-hydroxyacetamide
SMILESCC(C)(C)c1ccc2c(c1)CNCC2NC(=O)CO
InChIInChI=1S/C15H22N2O2/c1-15(2,3)11-4-5-12-10(6-11)7-16-8-13(12)17-14(19)9-18/h4-6,13,16,18H,7-9H2,1-3H3,(H,17,19)
InChIKeyRNPUZEMEFMBGDW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.24
Rot. Bonds2

About N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-hydroxyacetamide

N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-hydroxyacetamide (PubChem CID 82585082) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-hydroxyacetamide
PubChem CID82585082
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-hydroxyacetamide
SMILESCC(C)(C)c1ccc2c(c1)CNCC2NC(=O)CO
InChIInChI=1S/C15H22N2O2/c1-15(2,3)11-4-5-12-10(6-11)7-16-8-13(12)17-14(19)9-18/h4-6,13,16,18H,7-9H2,1-3H3,(H,17,19)
InChIKeyRNPUZEMEFMBGDW-UHFFFAOYSA-N
XLogP1.24
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-hydroxyacetamide?
The IUPAC name of N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-hydroxyacetamide (CID 82585082) is N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-hydroxyacetamide.
What is the SMILES notation for N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-hydroxyacetamide?
The canonical SMILES for N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-hydroxyacetamide is CC(C)(C)c1ccc2c(c1)CNCC2NC(=O)CO.
What is the InChIKey of N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-hydroxyacetamide?
The InChIKey is RNPUZEMEFMBGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)11-4-5-12-10(6-11)7-16-8-13(12)17-14(19)9-18/h4-6,13,16,18H,7-9H2,1-3H3,(H,17,19).
What are the key properties of N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-hydroxyacetamide?
N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-hydroxyacetamide has a molecular weight of 262.35 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-hydroxyacetamide is sourced from PubChem (CID 82585082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).