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

C26H39FN4O3 — CID 130200636

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)CN1CC2(CCC(c3ccc(F)cc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C26H39FN4O3/c1-28(2)26(21-7-9-22(27)10-8-21)13-11-25(12-14-26)19-30(18-23(33)29(3)15-16-32)24(34)31(25)17-20-5-4-6-20/h7-10,20,32H,4-6,11-19H2,1-3H3
InChIKeyHEAWRFRKRKYBSL-UHFFFAOYSA-N
MW474.62 g/mol
LogP2.88
Rot. Bonds8

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

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 130200636) has the molecular formula C26H39FN4O3 and a molecular weight of 474.62 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)-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID130200636
Molecular FormulaC26H39FN4O3
Molecular Weight474.62 g/mol
Exact Mass474.30
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)CN1CC2(CCC(c3ccc(F)cc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C26H39FN4O3/c1-28(2)26(21-7-9-22(27)10-8-21)13-11-25(12-14-26)19-30(18-23(33)29(3)15-16-32)24(34)31(25)17-20-5-4-6-20/h7-10,20,32H,4-6,11-19H2,1-3H3
InChIKeyHEAWRFRKRKYBSL-UHFFFAOYSA-N
XLogP2.88
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.62
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)-N-methylacetamide?
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)-N-methylacetamide (CID 130200636) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide.
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)-N-methylacetamide?
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)-N-methylacetamide is CN(CCO)C(=O)CN1CC2(CCC(c3ccc(F)cc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
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)-N-methylacetamide?
The InChIKey is HEAWRFRKRKYBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39FN4O3/c1-28(2)26(21-7-9-22(27)10-8-21)13-11-25(12-14-26)19-30(18-23(33)29(3)15-16-32)24(34)31(25)17-20-5-4-6-20/h7-10,20,32H,4-6,11-19H2,1-3H3.
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)-N-methylacetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 474.62 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 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)-N-methylacetamide is sourced from PubChem (CID 130200636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).