2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide

C17H18N2O2 — CID 80547709

IUPAC2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
SMILESO=C(Nc1cccc2c1CCNC2)C(O)c1ccccc1
InChIInChI=1S/C17H18N2O2/c20-16(12-5-2-1-3-6-12)17(21)19-15-8-4-7-13-11-18-10-9-14(13)15/h1-8,16,18,20H,9-11H2,(H,19,21)
InChIKeyYGQVZVHJBDGFEY-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.00
Rot. Bonds3

About 2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide

2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide (PubChem CID 80547709) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide.

Molecular Properties

Compound Name2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
PubChem CID80547709
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
SMILESO=C(Nc1cccc2c1CCNC2)C(O)c1ccccc1
InChIInChI=1S/C17H18N2O2/c20-16(12-5-2-1-3-6-12)17(21)19-15-8-4-7-13-11-18-10-9-14(13)15/h1-8,16,18,20H,9-11H2,(H,19,21)
InChIKeyYGQVZVHJBDGFEY-UHFFFAOYSA-N
XLogP2.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CID 43808490
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 80554367
2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide
CID 80554406
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895
1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide
CID 80554412
1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CID 166363565
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-carboxamide
CID 80554310
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide
CID 80554577
3-bromo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80554328
2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808455
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 70303028

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
The IUPAC name of 2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide (CID 80547709) is 2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide.
What is the SMILES notation for 2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
The canonical SMILES for 2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide is O=C(Nc1cccc2c1CCNC2)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
The InChIKey is YGQVZVHJBDGFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-16(12-5-2-1-3-6-12)17(21)19-15-8-4-7-13-11-18-10-9-14(13)15/h1-8,16,18,20H,9-11H2,(H,19,21).
What are the key properties of 2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide has a molecular weight of 282.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide is sourced from PubChem (CID 80547709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).