4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide

C20H24N2O2 — CID 86292941

IUPAC4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NN2CCc3ccc(O)cc3C2)cc1
InChIInChI=1S/C20H24N2O2/c1-20(2,3)17-7-4-15(5-8-17)19(24)21-22-11-10-14-6-9-18(23)12-16(14)13-22/h4-9,12,23H,10-11,13H2,1-3H3,(H,21,24)
InChIKeyIWICAUREOLXJQW-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.39
Rot. Bonds2

About 4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide

4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide (PubChem CID 86292941) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide
PubChem CID86292941
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NN2CCc3ccc(O)cc3C2)cc1
InChIInChI=1S/C20H24N2O2/c1-20(2,3)17-7-4-15(5-8-17)19(24)21-22-11-10-14-6-9-18(23)12-16(14)13-22/h4-9,12,23H,10-11,13H2,1-3H3,(H,21,24)
InChIKeyIWICAUREOLXJQW-UHFFFAOYSA-N
XLogP3.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 18172448
CID 18172448
CID 22729907
CID 22729907
CID 22729922
CID 22729922
CID 23544201
CID 23544201
CID 23544202
CID 23544202
CID 44359130
CID 44359130
CID 44529696
CID 44529696
CID 46226159
CID 46226159
CID 145975927
CID 145975927
CID 166634076
CID 166634076
CID 145978105
CID 145978105
CID 162654960
CID 162654960

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide (CID 86292941) is 4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide is CC(C)(C)c1ccc(C(=O)NN2CCc3ccc(O)cc3C2)cc1.
What is the InChIKey of 4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide?
The InChIKey is IWICAUREOLXJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-20(2,3)17-7-4-15(5-8-17)19(24)21-22-11-10-14-6-9-18(23)12-16(14)13-22/h4-9,12,23H,10-11,13H2,1-3H3,(H,21,24).
What are the key properties of 4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide?
4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide is sourced from PubChem (CID 86292941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).