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

C30H46N2O2 — CID 67184373

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

N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]propanamide (PubChem CID 67184373) has the molecular formula C30H46N2O2 and a molecular weight of 466.71 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]propanamide
• PubChem CID: 67184373
• Molecular Formula: C30H46N2O2
• Molecular Weight: 466.71 g/mol
• Exact Mass: 466.36
• IUPAC Name: N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]propanamide
• SMILES: O=C(CCC1CCCC1)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(O)c1)C2)CC1CCCCC1
• InChI: InChI=1S/C30H46N2O2/c33-29-12-6-11-25(21-29)26-19-27-14-15-28(20-26)32(27)18-17-31(22-24-9-2-1-3-10-24)30(34)16-13-23-7-4-5-8-23/h6,11-12,21,23-24,26-28,33H,1-5,7-10,13-20,22H2/t26?,27-,28+
• InChIKey: ZILSDCUVHKWQBO-KPINYLBXSA-N
• XLogP: 6.48
• TPSA: 43.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.71
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]propanamide (CID 67184373) is N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]propanamide.

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

The canonical SMILES for N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]propanamide is O=C(CCC1CCCC1)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(O)c1)C2)CC1CCCCC1.

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

The InChIKey is ZILSDCUVHKWQBO-KPINYLBXSA-N. The full InChI is InChI=1S/C30H46N2O2/c33-29-12-6-11-25(21-29)26-19-27-14-15-28(20-26)32(27)18-17-31(22-24-9-2-1-3-10-24)30(34)16-13-23-7-4-5-8-23/h6,11-12,21,23-24,26-28,33H,1-5,7-10,13-20,22H2/t26?,27-,28+.

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

N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]propanamide has a molecular weight of 466.71 g/mol, XLogP of 6.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]propanamide is sourced from PubChem (CID 67184373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).