2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-N-(2-methoxyphenyl)acetamide

C22H25N3O3 — CID 42537030

IUPAC2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1nc(C(C)C)c2c(c1C#N)CCCC2
InChIInChI=1S/C22H25N3O3/c1-14(2)21-16-9-5-4-8-15(16)17(12-23)22(25-21)28-13-20(26)24-18-10-6-7-11-19(18)27-3/h6-7,10-11,14H,4-5,8-9,13H2,1-3H3,(H,24,26)
InChIKeyIUSZFAHUDLFNEO-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.98
Rot. Bonds6

About 2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-N-(2-methoxyphenyl)acetamide

2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-N-(2-methoxyphenyl)acetamide (PubChem CID 42537030) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-N-(2-methoxyphenyl)acetamide
PubChem CID42537030
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1nc(C(C)C)c2c(c1C#N)CCCC2
InChIInChI=1S/C22H25N3O3/c1-14(2)21-16-9-5-4-8-15(16)17(12-23)22(25-21)28-13-20(26)24-18-10-6-7-11-19(18)27-3/h6-7,10-11,14H,4-5,8-9,13H2,1-3H3,(H,24,26)
InChIKeyIUSZFAHUDLFNEO-UHFFFAOYSA-N
XLogP3.98
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-N-(2-methoxyphenyl)acetamide with MolForge

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Related Compounds

N-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100747328
N-(2-cyanophenyl)-2-(2-methoxyphenoxy)acetamide
CID 922260
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]acetohydrazide
CID 132558027
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7757492
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methylphenoxy)acetamide
CID 759817
2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 95922351
2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 42085793
2-methylpropyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 24518174
N-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745967
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 82114035

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-N-(2-methoxyphenyl)acetamide (CID 42537030) is 2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)COc1nc(C(C)C)c2c(c1C#N)CCCC2.
What is the InChIKey of 2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-N-(2-methoxyphenyl)acetamide?
The InChIKey is IUSZFAHUDLFNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14(2)21-16-9-5-4-8-15(16)17(12-23)22(25-21)28-13-20(26)24-18-10-6-7-11-19(18)27-3/h6-7,10-11,14H,4-5,8-9,13H2,1-3H3,(H,24,26).
What are the key properties of 2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-N-(2-methoxyphenyl)acetamide?
2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-N-(2-methoxyphenyl)acetamide has a molecular weight of 379.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 42537030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).