N-[2,6-di(propan-2-yl)phenyl]-2-[1-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C28H36FN3O2 — CID 25224731

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[1-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1CC2(CCCCC2)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C28H36FN3O2/c1-19(2)23-9-8-10-24(20(3)4)26(23)30-25(33)17-31-18-28(15-6-5-7-16-28)32(27(31)34)22-13-11-21(29)12-14-22/h8-14,19-20H,5-7,15-18H2,1-4H3,(H,30,33)
InChIKeySOZGSIXSWIEHCJ-UHFFFAOYSA-N
MW465.61 g/mol
LogP6.66
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-2-[1-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[1-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 25224731) has the molecular formula C28H36FN3O2 and a molecular weight of 465.61 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[1-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[1-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID25224731
Molecular FormulaC28H36FN3O2
Molecular Weight465.61 g/mol
Exact Mass465.28
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[1-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1CC2(CCCCC2)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C28H36FN3O2/c1-19(2)23-9-8-10-24(20(3)4)26(23)30-25(33)17-31-18-28(15-6-5-7-16-28)32(27(31)34)22-13-11-21(29)12-14-22/h8-14,19-20H,5-7,15-18H2,1-4H3,(H,30,33)
InChIKeySOZGSIXSWIEHCJ-UHFFFAOYSA-N
XLogP6.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.61
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[1-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[1-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 25224731) is N-[2,6-di(propan-2-yl)phenyl]-2-[1-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[1-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[1-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC2(CCCCC2)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[1-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is SOZGSIXSWIEHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN3O2/c1-19(2)23-9-8-10-24(20(3)4)26(23)30-25(33)17-31-18-28(15-6-5-7-16-28)32(27(31)34)22-13-11-21(29)12-14-22/h8-14,19-20H,5-7,15-18H2,1-4H3,(H,30,33).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[1-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[1-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 465.61 g/mol, XLogP of 6.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[1-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 25224731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).