N-(cyclohexylmethyl)-1-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopropane-1-carboxamide

C26H38N2O3 — CID 67183354

About N-(cyclohexylmethyl)-1-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopropane-1-carboxamide

N-(cyclohexylmethyl)-1-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 67183354) has the molecular formula C26H38N2O3 and a molecular weight of 426.60 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-(cyclohexylmethyl)-1-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopropane-1-carboxamide
• PubChem CID: 67183354
• Molecular Formula: C26H38N2O3
• Molecular Weight: 426.60 g/mol
• Exact Mass: 426.29
• IUPAC Name: N-(cyclohexylmethyl)-1-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopropane-1-carboxamide
• SMILES: O=C(N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(O)c1)C2)CC1CCCCC1)C1(O)CC1
• InChI: InChI=1S/C26H38N2O3/c29-24-8-4-7-20(17-24)21-15-22-9-10-23(16-21)28(22)14-13-27(25(30)26(31)11-12-26)18-19-5-2-1-3-6-19/h4,7-8,17,19,21-23,29,31H,1-3,5-6,9-16,18H2/t21?,22-,23+
• InChIKey: SKLBTBOZTFPOLF-NOTZXAQLSA-N
• XLogP: 4.04
• TPSA: 64.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.60
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopropane-1-carboxamide?

The IUPAC name of N-(cyclohexylmethyl)-1-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopropane-1-carboxamide (CID 67183354) is N-(cyclohexylmethyl)-1-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for N-(cyclohexylmethyl)-1-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopropane-1-carboxamide?

The canonical SMILES for N-(cyclohexylmethyl)-1-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopropane-1-carboxamide is O=C(N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(O)c1)C2)CC1CCCCC1)C1(O)CC1.

What is the InChIKey of N-(cyclohexylmethyl)-1-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopropane-1-carboxamide?

The InChIKey is SKLBTBOZTFPOLF-NOTZXAQLSA-N. The full InChI is InChI=1S/C26H38N2O3/c29-24-8-4-7-20(17-24)21-15-22-9-10-23(16-21)28(22)14-13-27(25(30)26(31)11-12-26)18-19-5-2-1-3-6-19/h4,7-8,17,19,21-23,29,31H,1-3,5-6,9-16,18H2/t21?,22-,23+.

What are the key properties of N-(cyclohexylmethyl)-1-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopropane-1-carboxamide?

N-(cyclohexylmethyl)-1-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 426.60 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclohexylmethyl)-1-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 67183354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).