2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methoxypyrimidin-5-yl)acetamide

C28H38N6O3 — CID 130200581

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methoxypyrimidin-5-yl)acetamide
SMILESCOc1ncncc1NC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C28H38N6O3/c1-32(2)28(22-10-5-4-6-11-22)14-12-27(13-15-28)19-33(26(36)34(27)17-21-8-7-9-21)18-24(35)31-23-16-29-20-30-25(23)37-3/h4-6,10-11,16,20-21H,7-9,12-15,17-19H2,1-3H3,(H,31,35)
InChIKeyFPVFDCCVLSXYEA-UHFFFAOYSA-N
MW506.65 g/mol
LogP3.73
Rot. Bonds8

About 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methoxypyrimidin-5-yl)acetamide

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methoxypyrimidin-5-yl)acetamide (PubChem CID 130200581) has the molecular formula C28H38N6O3 and a molecular weight of 506.65 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methoxypyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methoxypyrimidin-5-yl)acetamide
PubChem CID130200581
Molecular FormulaC28H38N6O3
Molecular Weight506.65 g/mol
Exact Mass506.30
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methoxypyrimidin-5-yl)acetamide
SMILESCOc1ncncc1NC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C28H38N6O3/c1-32(2)28(22-10-5-4-6-11-22)14-12-27(13-15-28)19-33(26(36)34(27)17-21-8-7-9-21)18-24(35)31-23-16-29-20-30-25(23)37-3/h4-6,10-11,16,20-21H,7-9,12-15,17-19H2,1-3H3,(H,31,35)
InChIKeyFPVFDCCVLSXYEA-UHFFFAOYSA-N
XLogP3.73
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methoxypyrimidin-5-yl)acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methoxypyrimidin-5-yl)acetamide (CID 130200581) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methoxypyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methoxypyrimidin-5-yl)acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methoxypyrimidin-5-yl)acetamide is COc1ncncc1NC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methoxypyrimidin-5-yl)acetamide?
The InChIKey is FPVFDCCVLSXYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O3/c1-32(2)28(22-10-5-4-6-11-22)14-12-27(13-15-28)19-33(26(36)34(27)17-21-8-7-9-21)18-24(35)31-23-16-29-20-30-25(23)37-3/h4-6,10-11,16,20-21H,7-9,12-15,17-19H2,1-3H3,(H,31,35).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methoxypyrimidin-5-yl)acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methoxypyrimidin-5-yl)acetamide has a molecular weight of 506.65 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methoxypyrimidin-5-yl)acetamide is sourced from PubChem (CID 130200581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).