N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide

C23H29NO3 — CID 19450842

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19450842) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19450842
• Molecular Formula: C23H29NO3
• Molecular Weight: 367.49 g/mol
• Exact Mass: 367.21
• IUPAC Name: N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1ccc(OCc2ccc(C(=O)NC(C)C3CC4CCC3C4)o2)cc1C
• InChI: InChI=1S/C23H29NO3/c1-14-4-7-19(10-15(14)2)26-13-20-8-9-22(27-20)23(25)24-16(3)21-12-17-5-6-18(21)11-17/h4,7-10,16-18,21H,5-6,11-13H2,1-3H3,(H,24,25)
• InChIKey: NALCKTFQJMCEOJ-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 51.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	367.49
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide (CID 19450842) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)NC(C)C3CC4CCC3C4)o2)cc1C.

What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide?

The InChIKey is NALCKTFQJMCEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-14-4-7-19(10-15(14)2)26-13-20-8-9-22(27-20)23(25)24-16(3)21-12-17-5-6-18(21)11-17/h4,7-10,16-18,21H,5-6,11-13H2,1-3H3,(H,24,25).

What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide?

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19450842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).