N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide

C23H26N2O3 — CID 71089626

IUPACN-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NC3C4CC5CC3CC(C(N)=O)(C5)C4)o2)cc1
InChIInChI=1S/C23H26N2O3/c1-13-2-4-15(5-3-13)18-6-7-19(28-18)21(26)25-20-16-8-14-9-17(20)12-23(10-14,11-16)22(24)27/h2-7,14,16-17,20H,8-12H2,1H3,(H2,24,27)(H,25,26)
InChIKeyAQZJXTYUENKGJE-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.67
Rot. Bonds4

About N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide

N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide (PubChem CID 71089626) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide
PubChem CID71089626
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NC3C4CC5CC3CC(C(N)=O)(C5)C4)o2)cc1
InChIInChI=1S/C23H26N2O3/c1-13-2-4-15(5-3-13)18-6-7-19(28-18)21(26)25-20-16-8-14-9-17(20)12-23(10-14,11-16)22(24)27/h2-7,14,16-17,20H,8-12H2,1H3,(H2,24,27)(H,25,26)
InChIKeyAQZJXTYUENKGJE-UHFFFAOYSA-N
XLogP3.67
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide 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 N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide (CID 71089626) is N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)NC3C4CC5CC3CC(C(N)=O)(C5)C4)o2)cc1.
What is the InChIKey of N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide?
The InChIKey is AQZJXTYUENKGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-13-2-4-15(5-3-13)18-6-7-19(28-18)21(26)25-20-16-8-14-9-17(20)12-23(10-14,11-16)22(24)27/h2-7,14,16-17,20H,8-12H2,1H3,(H2,24,27)(H,25,26).
What are the key properties of N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide?
N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 71089626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).