N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C15H22N2O2 — CID 104761331

IUPACN-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCOC(C)(C)CNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-15(2,19-3)10-17-14(18)13-9-16-8-11-6-4-5-7-12(11)13/h4-7,13,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyNBZUKVAOWYBWCR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.41
Rot. Bonds4

About N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 104761331) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID104761331
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCOC(C)(C)CNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-15(2,19-3)10-17-14(18)13-9-16-8-11-6-4-5-7-12(11)13/h4-7,13,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyNBZUKVAOWYBWCR-UHFFFAOYSA-N
XLogP1.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 104761331) is N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is COC(C)(C)CNC(=O)C1CNCc2ccccc21.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is NBZUKVAOWYBWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,19-3)10-17-14(18)13-9-16-8-11-6-4-5-7-12(11)13/h4-7,13,16H,8-10H2,1-3H3,(H,17,18).
What are the key properties of N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 104761331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).