N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

C15H20N2O2 — CID 110489055

IUPACN-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2c(c1)CCNC2
InChIInChI=1S/C15H20N2O2/c18-15(17-10-14-2-1-7-19-14)12-3-4-13-9-16-6-5-11(13)8-12/h3-4,8,14,16H,1-2,5-7,9-10H2,(H,17,18)
InChIKeyLZYUPTIRYRYAJM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.24
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (PubChem CID 110489055) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
PubChem CID110489055
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2c(c1)CCNC2
InChIInChI=1S/C15H20N2O2/c18-15(17-10-14-2-1-7-19-14)12-3-4-13-9-16-6-5-11(13)8-12/h3-4,8,14,16H,1-2,5-7,9-10H2,(H,17,18)
InChIKeyLZYUPTIRYRYAJM-UHFFFAOYSA-N
XLogP1.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-(oxolan-2-ylmethyl)-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108323
2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18108766
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
N-(oxolan-2-ylmethyl)-1H-indole-5-carboxamide
CID 63717299
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 54917511
3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205667
4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
CID 55103122
9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
CID 42559548
4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110763952

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (CID 110489055) is N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is O=C(NCC1CCCO1)c1ccc2c(c1)CCNC2.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The InChIKey is LZYUPTIRYRYAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(17-10-14-2-1-7-19-14)12-3-4-13-9-16-6-5-11(13)8-12/h3-4,8,14,16H,1-2,5-7,9-10H2,(H,17,18).
What are the key properties of N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is sourced from PubChem (CID 110489055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).