4-hydroxy-N-[(1S)-3-[1'-(oxan-4-ylmethyl)-2'-oxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;hydrochloride

C34H53ClN4O4 — CID 24781363

About 4-hydroxy-N-[(1S)-3-[1'-(oxan-4-ylmethyl)-2'-oxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;hydrochloride

4-hydroxy-N-[(1S)-3-[1'-(oxan-4-ylmethyl)-2'-oxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 24781363) has the molecular formula C34H53ClN4O4 and a molecular weight of 617.28 g/mol. Its IUPAC name is 4-hydroxy-N-[(1S)-3-[1'-(oxan-4-ylmethyl)-2'-oxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 4-hydroxy-N-[(1S)-3-[1'-(oxan-4-ylmethyl)-2'-oxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;hydrochloride
• PubChem CID: 24781363
• Molecular Formula: C34H53ClN4O4
• Molecular Weight: 617.28 g/mol
• Exact Mass: 616.38
• IUPAC Name: 4-hydroxy-N-[(1S)-3-[1'-(oxan-4-ylmethyl)-2'-oxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;hydrochloride
• SMILES: CC(C)N1C(=O)N(CC2CCOCC2)CC12CC1CCC(C2)N1CC[C@H](NC(=O)C1CCC(O)CC1)c1ccccc1.Cl
• InChI: InChI=1S/C34H52N4O4.ClH/c1-24(2)38-33(41)36(22-25-15-18-42-19-16-25)23-34(38)20-28-10-11-29(21-34)37(28)17-14-31(26-6-4-3-5-7-26)35-32(40)27-8-12-30(39)13-9-27;/h3-7,24-25,27-31,39H,8-23H2,1-2H3,(H,35,40);1H/t27?,28?,29?,30?,31-,34?;/m0./s1
• InChIKey: JVVYOOOXHKMBIW-HNCSUBPNSA-N
• XLogP: 5.15
• TPSA: 85.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.28
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1S)-3-[1'-(oxan-4-ylmethyl)-2'-oxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;hydrochloride?

The IUPAC name of 4-hydroxy-N-[(1S)-3-[1'-(oxan-4-ylmethyl)-2'-oxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;hydrochloride (CID 24781363) is 4-hydroxy-N-[(1S)-3-[1'-(oxan-4-ylmethyl)-2'-oxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;hydrochloride.

What is the SMILES notation for 4-hydroxy-N-[(1S)-3-[1'-(oxan-4-ylmethyl)-2'-oxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;hydrochloride?

The canonical SMILES for 4-hydroxy-N-[(1S)-3-[1'-(oxan-4-ylmethyl)-2'-oxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;hydrochloride is CC(C)N1C(=O)N(CC2CCOCC2)CC12CC1CCC(C2)N1CC[C@H](NC(=O)C1CCC(O)CC1)c1ccccc1.Cl.

What is the InChIKey of 4-hydroxy-N-[(1S)-3-[1'-(oxan-4-ylmethyl)-2'-oxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;hydrochloride?

The InChIKey is JVVYOOOXHKMBIW-HNCSUBPNSA-N. The full InChI is InChI=1S/C34H52N4O4.ClH/c1-24(2)38-33(41)36(22-25-15-18-42-19-16-25)23-34(38)20-28-10-11-29(21-34)37(28)17-14-31(26-6-4-3-5-7-26)35-32(40)27-8-12-30(39)13-9-27;/h3-7,24-25,27-31,39H,8-23H2,1-2H3,(H,35,40);1H/t27?,28?,29?,30?,31-,34?;/m0./s1.

What are the key properties of 4-hydroxy-N-[(1S)-3-[1'-(oxan-4-ylmethyl)-2'-oxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;hydrochloride?

4-hydroxy-N-[(1S)-3-[1'-(oxan-4-ylmethyl)-2'-oxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 617.28 g/mol, XLogP of 5.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-N-[(1S)-3-[1'-(oxan-4-ylmethyl)-2'-oxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 24781363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).