3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide

C24H24N2O2 — CID 109024615

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide
SMILESO=C(CCN1CCc2ccccc2C1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2/c27-24(15-17-26-16-14-19-6-4-5-7-20(19)18-26)25-21-10-12-23(13-11-21)28-22-8-2-1-3-9-22/h1-13H,14-18H2,(H,25,27)
InChIKeyOVVJBFXJEXXVGJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.87
Rot. Bonds6

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide

3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide (PubChem CID 109024615) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide
PubChem CID109024615
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide
SMILESO=C(CCN1CCc2ccccc2C1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2/c27-24(15-17-26-16-14-19-6-4-5-7-20(19)18-26)25-21-10-12-23(13-11-21)28-22-8-2-1-3-9-22/h1-13H,14-18H2,(H,25,27)
InChIKeyOVVJBFXJEXXVGJ-UHFFFAOYSA-N
XLogP4.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide;oxalic acid
CID 171154302
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 109035049
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride
CID 52998055
3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 109032975
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458850
N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109024617
methyl 3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 10955041
N-tert-butyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109024556
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
N-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2345538
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide (CID 109024615) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide is O=C(CCN1CCc2ccccc2C1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is OVVJBFXJEXXVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-24(15-17-26-16-14-19-6-4-5-7-20(19)18-26)25-21-10-12-23(13-11-21)28-22-8-2-1-3-9-22/h1-13H,14-18H2,(H,25,27).
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 372.47 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 109024615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).