(3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

C19H28N2O4 — CID 124737482

IUPAC(3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCNC(=O)[C@@H]1Cc2ccccc2CN1C[C@@H](O)COC[C@H]1CCCO1
InChIInChI=1S/C19H28N2O4/c1-20-19(23)18-9-14-5-2-3-6-15(14)10-21(18)11-16(22)12-24-13-17-7-4-8-25-17/h2-3,5-6,16-18,22H,4,7-13H2,1H3,(H,20,23)/t16-,17-,18+/m1/s1
InChIKeyPSJYVRYTPFSSMK-KURKYZTESA-N
MW348.44 g/mol
LogP0.72
Rot. Bonds7

About (3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

(3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 124737482) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID124737482
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCNC(=O)[C@@H]1Cc2ccccc2CN1C[C@@H](O)COC[C@H]1CCCO1
InChIInChI=1S/C19H28N2O4/c1-20-19(23)18-9-14-5-2-3-6-15(14)10-21(18)11-16(22)12-24-13-17-7-4-8-25-17/h2-3,5-6,16-18,22H,4,7-13H2,1H3,(H,20,23)/t16-,17-,18+/m1/s1
InChIKeyPSJYVRYTPFSSMK-KURKYZTESA-N
XLogP0.72
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 100852297
1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462681
(3S)-2-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 94032289
(2S)-1-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 52539359
N-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]benzamide
CID 42928020
1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111488930
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 71892076
2-(oxan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 62875186
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111335534
1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111336725
(2S)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propan-2-ol
CID 95292419
(2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 124740644

Frequently Asked Questions

What is the IUPAC name of (3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of (3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 124737482) is (3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for (3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for (3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is CNC(=O)[C@@H]1Cc2ccccc2CN1C[C@@H](O)COC[C@H]1CCCO1.
What is the InChIKey of (3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is PSJYVRYTPFSSMK-KURKYZTESA-N. The full InChI is InChI=1S/C19H28N2O4/c1-20-19(23)18-9-14-5-2-3-6-15(14)10-21(18)11-16(22)12-24-13-17-7-4-8-25-17/h2-3,5-6,16-18,22H,4,7-13H2,1H3,(H,20,23)/t16-,17-,18+/m1/s1.
What are the key properties of (3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
(3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 124737482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).