2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide

C25H37FN4O3 — CID 130200707

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide
SMILESCN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(CC(=O)NCCO)C(=O)N2CC1CCC1
InChIInChI=1S/C25H37FN4O3/c1-28(2)25(20-7-4-8-21(26)15-20)11-9-24(10-12-25)18-29(17-22(32)27-13-14-31)23(33)30(24)16-19-5-3-6-19/h4,7-8,15,19,31H,3,5-6,9-14,16-18H2,1-2H3,(H,27,32)
InChIKeyIRICADNFNNAETP-UHFFFAOYSA-N
MW460.59 g/mol
LogP2.54
Rot. Bonds8

About 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 130200707) has the molecular formula C25H37FN4O3 and a molecular weight of 460.59 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID130200707
Molecular FormulaC25H37FN4O3
Molecular Weight460.59 g/mol
Exact Mass460.28
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide
SMILESCN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(CC(=O)NCCO)C(=O)N2CC1CCC1
InChIInChI=1S/C25H37FN4O3/c1-28(2)25(20-7-4-8-21(26)15-20)11-9-24(10-12-25)18-29(17-22(32)27-13-14-31)23(33)30(24)16-19-5-3-6-19/h4,7-8,15,19,31H,3,5-6,9-14,16-18H2,1-2H3,(H,27,32)
InChIKeyIRICADNFNNAETP-UHFFFAOYSA-N
XLogP2.54
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide (CID 130200707) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide is CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(CC(=O)NCCO)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is IRICADNFNNAETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37FN4O3/c1-28(2)25(20-7-4-8-21(26)15-20)11-9-24(10-12-25)18-29(17-22(32)27-13-14-31)23(33)30(24)16-19-5-3-6-19/h4,7-8,15,19,31H,3,5-6,9-14,16-18H2,1-2H3,(H,27,32).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 460.59 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 130200707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).