2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenyl)acetamide

C18H20N2O — CID 90085245

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(N)=O)N1CCc2ccccc2C1
InChIInChI=1S/C18H20N2O/c1-13-6-2-5-9-16(13)17(18(19)21)20-11-10-14-7-3-4-8-15(14)12-20/h2-9,17H,10-12H2,1H3,(H2,19,21)
InChIKeyRQQKOAPHFOOTQI-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.58
Rot. Bonds3

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenyl)acetamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenyl)acetamide (PubChem CID 90085245) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenyl)acetamide
PubChem CID90085245
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(N)=O)N1CCc2ccccc2C1
InChIInChI=1S/C18H20N2O/c1-13-6-2-5-9-16(13)17(18(19)21)20-11-10-14-7-3-4-8-15(14)12-20/h2-9,17H,10-12H2,1H3,(H2,19,21)
InChIKeyRQQKOAPHFOOTQI-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetate
CID 42891094
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 51886799
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethoxyphenyl)acetic acid
CID 97188502
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutanoic acid
CID 79406087
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide
CID 82079357
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butanoate
CID 40804528
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 18078382
(2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide
CID 95281735
1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-4-carboxamide
CID 32719514
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863
methyl 2-(2-methylphenyl)-2-(5-sulfanyl-1,3,4,5-tetrahydrocyclopenta[c]pyridin-2-yl)acetate
CID 21057210
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-hydroxyphenyl)acetic acid
CID 84747211

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenyl)acetamide (CID 90085245) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenyl)acetamide is Cc1ccccc1C(C(N)=O)N1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenyl)acetamide?
The InChIKey is RQQKOAPHFOOTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-6-2-5-9-16(13)17(18(19)21)20-11-10-14-7-3-4-8-15(14)12-20/h2-9,17H,10-12H2,1H3,(H2,19,21).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenyl)acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenyl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 90085245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).