2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide

C21H24N2O3 — CID 16943033

IUPAC2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
SMILESCCC(=O)N1CCc2ccc(NC(=O)COc3ccccc3C)cc2C1
InChIInChI=1S/C21H24N2O3/c1-3-21(25)23-11-10-16-8-9-18(12-17(16)13-23)22-20(24)14-26-19-7-5-4-6-15(19)2/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,22,24)
InChIKeyAKDMLVVSKQMHTO-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.31
Rot. Bonds5

About 2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide

2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide (PubChem CID 16943033) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
PubChem CID16943033
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
SMILESCCC(=O)N1CCc2ccc(NC(=O)COc3ccccc3C)cc2C1
InChIInChI=1S/C21H24N2O3/c1-3-21(25)23-11-10-16-8-9-18(12-17(16)13-23)22-20(24)14-26-19-7-5-4-6-15(19)2/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,22,24)
InChIKeyAKDMLVVSKQMHTO-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 16943044
N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 16943052
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2-fluorophenoxy)acetamide
CID 16942901
2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16930209
2-(2-chlorophenoxy)-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16943182
3,3-dimethyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide
CID 16943007
2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16942951
methyl 7-[[2-(4-methylphenoxy)acetyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034796
methyl 7-[[2-(3-methylphenoxy)acetyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034795
methyl 7-[(2-methoxyacetyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034747
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide
CID 16942902
N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-ethylphenoxy)acetamide
CID 16943689

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide (CID 16943033) is 2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide is CCC(=O)N1CCc2ccc(NC(=O)COc3ccccc3C)cc2C1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide?
The InChIKey is AKDMLVVSKQMHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-21(25)23-11-10-16-8-9-18(12-17(16)13-23)22-20(24)14-26-19-7-5-4-6-15(19)2/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,22,24).
What are the key properties of 2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide?
2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide is sourced from PubChem (CID 16943033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).