3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide

C22H28N2O2 — CID 26409001

IUPAC3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(C(C)C)CC2
InChIInChI=1S/C22H28N2O2/c1-16(2)24-13-12-17-8-10-20(14-19(17)15-24)23-22(25)11-9-18-6-4-5-7-21(18)26-3/h4-8,10,14,16H,9,11-13,15H2,1-3H3,(H,23,25)
InChIKeyXSFJIYHAMINROI-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.03
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide

3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide (PubChem CID 26409001) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide
PubChem CID26409001
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(C(C)C)CC2
InChIInChI=1S/C22H28N2O2/c1-16(2)24-13-12-17-8-10-20(14-19(17)15-24)23-22(25)11-9-18-6-4-5-7-21(18)26-3/h4-8,10,14,16H,9,11-13,15H2,1-3H3,(H,23,25)
InChIKeyXSFJIYHAMINROI-UHFFFAOYSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide
CID 42558013
3-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)propanamide
CID 110729242
N-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide
CID 42362175
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871018
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
2-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 110729357
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 17449931
N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55708058
3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide
CID 110412637
N-(3-ethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 7699788
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9248409
2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid
CID 17362890

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide (CID 26409001) is 3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide is COc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(C(C)C)CC2.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide?
The InChIKey is XSFJIYHAMINROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16(2)24-13-12-17-8-10-20(14-19(17)15-24)23-22(25)11-9-18-6-4-5-7-21(18)26-3/h4-8,10,14,16H,9,11-13,15H2,1-3H3,(H,23,25).
What are the key properties of 3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide?
3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide has a molecular weight of 352.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide is sourced from PubChem (CID 26409001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).