3-(1-adamantyl)-2-benzylbenzamide

C24H27NO — CID 142743672

IUPAC3-(1-adamantyl)-2-benzylbenzamide
SMILESNC(=O)c1cccc(C23CC4CC(CC(C4)C2)C3)c1Cc1ccccc1
InChIInChI=1S/C24H27NO/c25-23(26)20-7-4-8-22(21(20)12-16-5-2-1-3-6-16)24-13-17-9-18(14-24)11-19(10-17)15-24/h1-8,17-19H,9-15H2,(H2,25,26)
InChIKeyIQTWKNUZDFCJAQ-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.84
Rot. Bonds4

About 3-(1-adamantyl)-2-benzylbenzamide

3-(1-adamantyl)-2-benzylbenzamide (PubChem CID 142743672) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-(1-adamantyl)-2-benzylbenzamide.

Molecular Properties

Compound Name3-(1-adamantyl)-2-benzylbenzamide
PubChem CID142743672
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name3-(1-adamantyl)-2-benzylbenzamide
SMILESNC(=O)c1cccc(C23CC4CC(CC(C4)C2)C3)c1Cc1ccccc1
InChIInChI=1S/C24H27NO/c25-23(26)20-7-4-8-22(21(20)12-16-5-2-1-3-6-16)24-13-17-9-18(14-24)11-19(10-17)15-24/h1-8,17-19H,9-15H2,(H2,25,26)
InChIKeyIQTWKNUZDFCJAQ-UHFFFAOYSA-N
XLogP4.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(1-adamantyl)-2-benzylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-2-benzylbenzamide?
The IUPAC name of 3-(1-adamantyl)-2-benzylbenzamide (CID 142743672) is 3-(1-adamantyl)-2-benzylbenzamide.
What is the SMILES notation for 3-(1-adamantyl)-2-benzylbenzamide?
The canonical SMILES for 3-(1-adamantyl)-2-benzylbenzamide is NC(=O)c1cccc(C23CC4CC(CC(C4)C2)C3)c1Cc1ccccc1.
What is the InChIKey of 3-(1-adamantyl)-2-benzylbenzamide?
The InChIKey is IQTWKNUZDFCJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c25-23(26)20-7-4-8-22(21(20)12-16-5-2-1-3-6-16)24-13-17-9-18(14-24)11-19(10-17)15-24/h1-8,17-19H,9-15H2,(H2,25,26).
What are the key properties of 3-(1-adamantyl)-2-benzylbenzamide?
3-(1-adamantyl)-2-benzylbenzamide has a molecular weight of 345.49 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-2-benzylbenzamide is sourced from PubChem (CID 142743672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).