2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide

C25H37FN4O3 — CID 130200704

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide
SMILESCN(C)C1(c2ccc(F)cc2)CCC2(CC1)CN(CC(=O)NCCO)C(=O)N2CC1CCC1
InChIInChI=1S/C25H37FN4O3/c1-28(2)25(20-6-8-21(26)9-7-20)12-10-24(11-13-25)18-29(17-22(32)27-14-15-31)23(33)30(24)16-19-4-3-5-19/h6-9,19,31H,3-5,10-18H2,1-2H3,(H,27,32)
InChIKeyNZWWUGWGLLLURE-UHFFFAOYSA-N
MW460.59 g/mol
LogP2.54
Rot. Bonds8

About 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 130200704) has the molecular formula C25H37FN4O3 and a molecular weight of 460.59 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID130200704
Molecular FormulaC25H37FN4O3
Molecular Weight460.59 g/mol
Exact Mass460.28
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide
SMILESCN(C)C1(c2ccc(F)cc2)CCC2(CC1)CN(CC(=O)NCCO)C(=O)N2CC1CCC1
InChIInChI=1S/C25H37FN4O3/c1-28(2)25(20-6-8-21(26)9-7-20)12-10-24(11-13-25)18-29(17-22(32)27-14-15-31)23(33)30(24)16-19-4-3-5-19/h6-9,19,31H,3-5,10-18H2,1-2H3,(H,27,32)
InChIKeyNZWWUGWGLLLURE-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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Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1352
CID 130200707
US10807989, Example SC_1349
CID 130200783
US10807989, Example SC_1359
CID 130200636
US10807989, Example SC_1360
CID 130200637
US10793528, Example SC_5069
CID 130200865
US10807989, Example SC_1103
CID 130200911
US10793528, Example SC_5046
CID 130201069
US10807989, Example SC_1122
CID 130200450
US10807989, Example SC_1223
CID 130200458
US10807989, Example SC_1177
CID 130200460
US10807989, Example SC_1343
CID 130200461

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-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-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide (CID 130200704) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-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-(4-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-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide is CN(C)C1(c2ccc(F)cc2)CCC2(CC1)CN(CC(=O)NCCO)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is NZWWUGWGLLLURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37FN4O3/c1-28(2)25(20-6-8-21(26)9-7-20)12-10-24(11-13-25)18-29(17-22(32)27-14-15-31)23(33)30(24)16-19-4-3-5-19/h6-9,19,31H,3-5,10-18H2,1-2H3,(H,27,32).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-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-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 130200704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).