4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4,6-trimethylphenyl)benzamide

C26H28N2O — CID 982581

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)c1
InChIInChI=1S/C26H28N2O/c1-18-14-19(2)25(20(3)15-18)27-26(29)23-10-8-21(9-11-23)16-28-13-12-22-6-4-5-7-24(22)17-28/h4-11,14-15H,12-13,16-17H2,1-3H3,(H,27,29)
InChIKeyQZPDHIOGDDQVGR-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.42
Rot. Bonds4

About 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4,6-trimethylphenyl)benzamide

4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 982581) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID982581
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)c1
InChIInChI=1S/C26H28N2O/c1-18-14-19(2)25(20(3)15-18)27-26(29)23-10-8-21(9-11-23)16-28-13-12-22-6-4-5-7-24(22)17-28/h4-11,14-15H,12-13,16-17H2,1-3H3,(H,27,29)
InChIKeyQZPDHIOGDDQVGR-UHFFFAOYSA-N
XLogP5.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4,6-trimethylphenyl)benzamide (CID 982581) is 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)c1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is QZPDHIOGDDQVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-18-14-19(2)25(20(3)15-18)27-26(29)23-10-8-21(9-11-23)16-28-13-12-22-6-4-5-7-24(22)17-28/h4-11,14-15H,12-13,16-17H2,1-3H3,(H,27,29).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4,6-trimethylphenyl)benzamide?
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 384.52 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 982581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).