9-amino-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide

C21H30N2O2 — CID 120992037

About 9-amino-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120992037) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 9-amino-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

• Compound Name: 9-amino-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
• PubChem CID: 120992037
• Molecular Formula: C21H30N2O2
• Molecular Weight: 342.48 g/mol
• Exact Mass: 342.23
• IUPAC Name: 9-amino-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
• SMILES: CC(NC(=O)C1CC2CCCC(C1)C2N)C1Oc2ccccc2C1C
• InChI: InChI=1S/C21H30N2O2/c1-12-17-8-3-4-9-18(17)25-20(12)13(2)23-21(24)16-10-14-6-5-7-15(11-16)19(14)22/h3-4,8-9,12-16,19-20H,5-7,10-11,22H2,1-2H3,(H,23,24)
• InChIKey: GLUVVDFGYDVZPG-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 64.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.48
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?

The IUPAC name of 9-amino-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120992037) is 9-amino-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide.

What is the SMILES notation for 9-amino-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?

The canonical SMILES for 9-amino-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide is CC(NC(=O)C1CC2CCCC(C1)C2N)C1Oc2ccccc2C1C.

What is the InChIKey of 9-amino-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?

The InChIKey is GLUVVDFGYDVZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-12-17-8-3-4-9-18(17)25-20(12)13(2)23-21(24)16-10-14-6-5-7-15(11-16)19(14)22/h3-4,8-9,12-16,19-20H,5-7,10-11,22H2,1-2H3,(H,23,24).

What are the key properties of 9-amino-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?

9-amino-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-amino-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120992037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).