1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C29H39N3O2 — CID 130220323

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCc1ccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cc1
InChIInChI=1S/C29H39N3O2/c1-30(2)29(25-10-5-4-6-11-25)18-16-28(17-19-29)22-31(26-14-12-24(13-15-26)21-34-3)27(33)32(28)20-23-8-7-9-23/h4-6,10-15,23H,7-9,16-22H2,1-3H3
InChIKeySWKWFHZBNYZAQE-UHFFFAOYSA-N
MW461.65 g/mol
LogP5.64
Rot. Bonds7

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130220323) has the molecular formula C29H39N3O2 and a molecular weight of 461.65 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130220323
Molecular FormulaC29H39N3O2
Molecular Weight461.65 g/mol
Exact Mass461.30
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCc1ccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cc1
InChIInChI=1S/C29H39N3O2/c1-30(2)29(25-10-5-4-6-11-25)18-16-28(17-19-29)22-31(26-14-12-24(13-15-26)21-34-3)27(33)32(28)20-23-8-7-9-23/h4-6,10-15,23H,7-9,16-22H2,1-3H3
InChIKeySWKWFHZBNYZAQE-UHFFFAOYSA-N
XLogP5.64
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130220323) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COCc1ccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cc1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is SWKWFHZBNYZAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O2/c1-30(2)29(25-10-5-4-6-11-25)18-16-28(17-19-29)22-31(26-14-12-24(13-15-26)21-34-3)27(33)32(28)20-23-8-7-9-23/h4-6,10-15,23H,7-9,16-22H2,1-3H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 461.65 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130220323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).