(2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide

C14H18N2O2 — CID 104856418

IUPAC(2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide
SMILESO=C(Nc1cccc2c1CCNC2)[C@H]1CCCO1
InChIInChI=1S/C14H18N2O2/c17-14(13-5-2-8-18-13)16-12-4-1-3-10-9-15-7-6-11(10)12/h1,3-4,13,15H,2,5-9H2,(H,16,17)/t13-/m1/s1
InChIKeyCXGKOCSXZNNGHH-CYBMUJFWSA-N
MW246.31 g/mol
LogP1.45
Rot. Bonds2

About (2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide

(2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide (PubChem CID 104856418) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide
PubChem CID104856418
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide
SMILESO=C(Nc1cccc2c1CCNC2)[C@H]1CCCO1
InChIInChI=1S/C14H18N2O2/c17-14(13-5-2-8-18-13)16-12-4-1-3-10-9-15-7-6-11(10)12/h1,3-4,13,15H,2,5-9H2,(H,16,17)/t13-/m1/s1
InChIKeyCXGKOCSXZNNGHH-CYBMUJFWSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxolane-2-carboxamide
CID 42904447
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxane-2-carboxamide
CID 120882416
2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide
CID 80554406
(2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide
CID 103806790
(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
CID 103479904
N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 58409794
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 43808408
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid
CID 104855642

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide (CID 104856418) is (2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide is O=C(Nc1cccc2c1CCNC2)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide?
The InChIKey is CXGKOCSXZNNGHH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(13-5-2-8-18-13)16-12-4-1-3-10-9-15-7-6-11(10)12/h1,3-4,13,15H,2,5-9H2,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide?
(2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide is sourced from PubChem (CID 104856418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).