N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C24H30FN3O2 — CID 70306745

About N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 70306745) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

• Compound Name: N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
• PubChem CID: 70306745
• Molecular Formula: C24H30FN3O2
• Molecular Weight: 411.52 g/mol
• Exact Mass: 411.23
• IUPAC Name: N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
• SMILES: CC(C)N1CC2(CCN(C(=O)NCc3cccc(F)c3)CC2)C1c1ccc(O)cc1
• InChI: InChI=1S/C24H30FN3O2/c1-17(2)28-16-24(22(28)19-6-8-21(29)9-7-19)10-12-27(13-11-24)23(30)26-15-18-4-3-5-20(25)14-18/h3-9,14,17,22,29H,10-13,15-16H2,1-2H3,(H,26,30)
• InChIKey: HLWCYFKOMSITEH-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 55.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.52
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The IUPAC name of N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 70306745) is N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is CC(C)N1CC2(CCN(C(=O)NCc3cccc(F)c3)CC2)C1c1ccc(O)cc1.

What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The InChIKey is HLWCYFKOMSITEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-17(2)28-16-24(22(28)19-6-8-21(29)9-7-19)10-12-27(13-11-24)23(30)26-15-18-4-3-5-20(25)14-18/h3-9,14,17,22,29H,10-13,15-16H2,1-2H3,(H,26,30).

What are the key properties of N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?

N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 70306745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).