N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide

C20H24N2O2 — CID 90328755

IUPACN-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC[C@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C20H24N2O2/c23-19(13-21-20(24)12-16-6-2-1-3-7-16)15-22-11-10-17-8-4-5-9-18(17)14-22/h1-9,19,23H,10-15H2,(H,21,24)/t19-/m0/s1
InChIKeyIVYDHNJIVLFCFB-IBGZPJMESA-N
MW324.42 g/mol
LogP1.76
Rot. Bonds6

About N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide

N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide (PubChem CID 90328755) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide
PubChem CID90328755
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC[C@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C20H24N2O2/c23-19(13-21-20(24)12-16-6-2-1-3-7-16)15-22-11-10-17-8-4-5-9-18(17)14-22/h1-9,19,23H,10-15H2,(H,21,24)/t19-/m0/s1
InChIKeyIVYDHNJIVLFCFB-IBGZPJMESA-N
XLogP1.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 4968817
1-(8-fluoro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2R)-2-hydroxypropyl]amino]ethanone
CID 59396210
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2S)-2-hydroxybutyl]amino]ethanone
CID 59396356
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2R)-2-hydroxybutyl]amino]ethanone
CID 59396624
(3S,4aS,8aS)-N-tert-butyl-2-[(2R)-3-[(4-fluorophenyl)methylamino]-2-hydroxypropyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
CID 168270728
(3S,4aS,8aS)-2-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
CID 168292133
(3S,4aS,8aS)-N-tert-butyl-2-[(2R)-3-[(3-fluorophenyl)methylamino]-2-hydroxypropyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
CID 168294973
N-[3-(4-morpholinyl)propyl]-2-biphenylcarboxamide
CID 2199608
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 2985306
N-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 3153439
4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-isopropoxy-propyl)-benzamide
CID 3157059
2-benzyl-3-(3,4-dihydroisoquinolin-2(1H)-yl)-N-hydroxy-3-oxopropanamide
CID 16115017

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide?
The IUPAC name of N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide (CID 90328755) is N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide.
What is the SMILES notation for N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide?
The canonical SMILES for N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC[C@H](O)CN1CCc2ccccc2C1.
What is the InChIKey of N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide?
The InChIKey is IVYDHNJIVLFCFB-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O2/c23-19(13-21-20(24)12-16-6-2-1-3-7-16)15-22-11-10-17-8-4-5-9-18(17)14-22/h1-9,19,23H,10-15H2,(H,21,24)/t19-/m0/s1.
What are the key properties of N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide?
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide has a molecular weight of 324.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide is sourced from PubChem (CID 90328755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).