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

C28H40N6O2 — CID 130219995

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methoxypyrimidin-4-yl)acetamide
SMILESCOc1cncnc1NC(=O)CN1CN(CC2CCC2)C2(CCC(c3ccccc3)(N(C)C)CC2)C1
InChIInChI=1S/C28H40N6O2/c1-32(2)28(23-10-5-4-6-11-23)14-12-27(13-15-28)19-33(21-34(27)17-22-8-7-9-22)18-25(35)31-26-24(36-3)16-29-20-30-26/h4-6,10-11,16,20,22H,7-9,12-15,17-19,21H2,1-3H3,(H,29,30,31,35)
InChIKeyJYCWNFMGIQKJBP-UHFFFAOYSA-N
MW492.67 g/mol
LogP3.57
Rot. Bonds8

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

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methoxypyrimidin-4-yl)acetamide (PubChem CID 130219995) has the molecular formula C28H40N6O2 and a molecular weight of 492.67 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methoxypyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methoxypyrimidin-4-yl)acetamide
PubChem CID130219995
Molecular FormulaC28H40N6O2
Molecular Weight492.67 g/mol
Exact Mass492.32
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methoxypyrimidin-4-yl)acetamide
SMILESCOc1cncnc1NC(=O)CN1CN(CC2CCC2)C2(CCC(c3ccccc3)(N(C)C)CC2)C1
InChIInChI=1S/C28H40N6O2/c1-32(2)28(23-10-5-4-6-11-23)14-12-27(13-15-28)19-33(21-34(27)17-22-8-7-9-22)18-25(35)31-26-24(36-3)16-29-20-30-26/h4-6,10-11,16,20,22H,7-9,12-15,17-19,21H2,1-3H3,(H,29,30,31,35)
InChIKeyJYCWNFMGIQKJBP-UHFFFAOYSA-N
XLogP3.57
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.67
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methoxypyrimidin-4-yl)acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methoxypyrimidin-4-yl)acetamide (CID 130219995) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methoxypyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methoxypyrimidin-4-yl)acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methoxypyrimidin-4-yl)acetamide is COc1cncnc1NC(=O)CN1CN(CC2CCC2)C2(CCC(c3ccccc3)(N(C)C)CC2)C1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methoxypyrimidin-4-yl)acetamide?
The InChIKey is JYCWNFMGIQKJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O2/c1-32(2)28(23-10-5-4-6-11-23)14-12-27(13-15-28)19-33(21-34(27)17-22-8-7-9-22)18-25(35)31-26-24(36-3)16-29-20-30-26/h4-6,10-11,16,20,22H,7-9,12-15,17-19,21H2,1-3H3,(H,29,30,31,35).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methoxypyrimidin-4-yl)acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methoxypyrimidin-4-yl)acetamide has a molecular weight of 492.67 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methoxypyrimidin-4-yl)acetamide is sourced from PubChem (CID 130219995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).