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

C21H26N2O2 — CID 90328721

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C21H26N2O2/c24-20(14-22-21(25)11-10-17-6-2-1-3-7-17)16-23-13-12-18-8-4-5-9-19(18)15-23/h1-9,20,24H,10-16H2,(H,22,25)
InChIKeyFFUQGIMPGGGBGH-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.15
Rot. Bonds7

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

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpropanamide (PubChem CID 90328721) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpropanamide
PubChem CID90328721
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C21H26N2O2/c24-20(14-22-21(25)11-10-17-6-2-1-3-7-17)16-23-13-12-18-8-4-5-9-19(18)15-23/h1-9,20,24H,10-16H2,(H,22,25)
InChIKeyFFUQGIMPGGGBGH-UHFFFAOYSA-N
XLogP2.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.15
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-5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2R)-2-hydroxypropyl]amino]ethanone
CID 59396534
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
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-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpropanamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpropanamide (CID 90328721) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCC(O)CN1CCc2ccccc2C1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpropanamide?
The InChIKey is FFUQGIMPGGGBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-20(14-22-21(25)11-10-17-6-2-1-3-7-17)16-23-13-12-18-8-4-5-9-19(18)15-23/h1-9,20,24H,10-16H2,(H,22,25).
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpropanamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpropanamide is sourced from PubChem (CID 90328721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).