(3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

C16H21ClN2O4 — CID 154887354

IUPAC(3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C16H20N2O4.ClH/c19-13-8-22-14-12(7-21-15(13)14)18-16(20)11-5-9-3-1-2-4-10(9)6-17-11;/h1-4,11-15,17,19H,5-8H2,(H,18,20);1H/t11-,12-,13-,14-,15-;/m1./s1
InChIKeyBDIRUAUEWFATMC-LGOICXCGSA-N
MW340.81 g/mol
LogP-0.23
Rot. Bonds2

About (3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

(3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (PubChem CID 154887354) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is (3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
PubChem CID154887354
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Name(3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C16H20N2O4.ClH/c19-13-8-22-14-12(7-21-15(13)14)18-16(20)11-5-9-3-1-2-4-10(9)6-17-11;/h1-4,11-15,17,19H,5-8H2,(H,18,20);1H/t11-,12-,13-,14-,15-;/m1./s1
InChIKeyBDIRUAUEWFATMC-LGOICXCGSA-N
XLogP-0.23
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107221971
N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 82729225
(2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 154919495
N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64907413
N-(2-phenylcyclopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119281644
N-(2-propylcyclopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119342973
(3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 79524266
N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185707
(3S)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896194
(3R)-N-(2-cyanocyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62963639
(3S)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104940484
(3S)-N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896608

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of (3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (CID 154887354) is (3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for (3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is Cl.O=C(N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The InChIKey is BDIRUAUEWFATMC-LGOICXCGSA-N. The full InChI is InChI=1S/C16H20N2O4.ClH/c19-13-8-22-14-12(7-21-15(13)14)18-16(20)11-5-9-3-1-2-4-10(9)6-17-11;/h1-4,11-15,17,19H,5-8H2,(H,18,20);1H/t11-,12-,13-,14-,15-;/m1./s1.
What are the key properties of (3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
(3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride has a molecular weight of 340.81 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 154887354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).