N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride

C21H27ClN2O3 — CID 119458931

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride (PubChem CID 119458931) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride
• PubChem CID: 119458931
• Molecular Formula: C21H27ClN2O3
• Molecular Weight: 390.91 g/mol
• Exact Mass: 390.17
• IUPAC Name: N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride
• SMILES: Cc1ccc(OCc2ccc(C(=O)NC3CC4CCC(C3)N4)o2)c(C)c1.Cl
• InChI: InChI=1S/C21H26N2O3.ClH/c1-13-3-7-19(14(2)9-13)25-12-18-6-8-20(26-18)21(24)23-17-10-15-4-5-16(11-17)22-15;/h3,6-9,15-17,22H,4-5,10-12H2,1-2H3,(H,23,24);1H
• InChIKey: YVFMYGRXDRSSKE-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 63.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.91
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride?

The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride (CID 119458931) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride.

What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride?

The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride is Cc1ccc(OCc2ccc(C(=O)NC3CC4CCC(C3)N4)o2)c(C)c1.Cl.

What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride?

The InChIKey is YVFMYGRXDRSSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3.ClH/c1-13-3-7-19(14(2)9-13)25-12-18-6-8-20(26-18)21(24)23-17-10-15-4-5-16(11-17)22-15;/h3,6-9,15-17,22H,4-5,10-12H2,1-2H3,(H,23,24);1H.

What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride?

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride has a molecular weight of 390.91 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119458931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).