N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylcyclopropane-1-carboxamide

C24H33N2O2+ — CID 11921865

About N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylcyclopropane-1-carboxamide

N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 11921865) has the molecular formula C24H33N2O2+ and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylcyclopropane-1-carboxamide
• PubChem CID: 11921865
• Molecular Formula: C24H33N2O2+
• Molecular Weight: 381.54 g/mol
• Exact Mass: 381.25
• IUPAC Name: N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylcyclopropane-1-carboxamide
• SMILES: O=C(N(CC[NH+]1CCOCC1)C[C@H]1C[C@@H]2C=C[C@H]1C2)C1(c2ccccc2)CC1
• InChI: InChI=1S/C24H32N2O2/c27-23(24(8-9-24)22-4-2-1-3-5-22)26(11-10-25-12-14-28-15-13-25)18-21-17-19-6-7-20(21)16-19/h1-7,19-21H,8-18H2/p+1/t19-,20+,21-/m1/s1
• InChIKey: ZQBSXMYMRQUYHY-QHAWAJNXSA-O
• XLogP: 1.67
• TPSA: 33.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.54
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylcyclopropane-1-carboxamide?

The IUPAC name of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylcyclopropane-1-carboxamide (CID 11921865) is N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylcyclopropane-1-carboxamide.

What is the SMILES notation for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylcyclopropane-1-carboxamide?

The canonical SMILES for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylcyclopropane-1-carboxamide is O=C(N(CC[NH+]1CCOCC1)C[C@H]1C[C@@H]2C=C[C@H]1C2)C1(c2ccccc2)CC1.

What is the InChIKey of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylcyclopropane-1-carboxamide?

The InChIKey is ZQBSXMYMRQUYHY-QHAWAJNXSA-O. The full InChI is InChI=1S/C24H32N2O2/c27-23(24(8-9-24)22-4-2-1-3-5-22)26(11-10-25-12-14-28-15-13-25)18-21-17-19-6-7-20(21)16-19/h1-7,19-21H,8-18H2/p+1/t19-,20+,21-/m1/s1.

What are the key properties of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylcyclopropane-1-carboxamide?

N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 381.54 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 11921865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).