8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C28H39N3O2 — CID 130200774

IUPAC8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C28H39N3O2/c1-22(2)19-31-26(32)30(20-23-11-13-25(33-5)14-12-23)21-27(31)15-17-28(18-16-27,29(3)4)24-9-7-6-8-10-24/h6-14,22H,15-21H2,1-5H3
InChIKeyZFDFQROBUBTCCD-UHFFFAOYSA-N
MW449.64 g/mol
LogP5.36
Rot. Bonds7

About 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200774) has the molecular formula C28H39N3O2 and a molecular weight of 449.64 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200774
Molecular FormulaC28H39N3O2
Molecular Weight449.64 g/mol
Exact Mass449.30
IUPAC Name8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C28H39N3O2/c1-22(2)19-31-26(32)30(20-23-11-13-25(33-5)14-12-23)21-27(31)15-17-28(18-16-27,29(3)4)24-9-7-6-8-10-24/h6-14,22H,15-21H2,1-5H3
InChIKeyZFDFQROBUBTCCD-UHFFFAOYSA-N
XLogP5.36
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.64
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200774) is 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(C)C)C2=O)cc1.
What is the InChIKey of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is ZFDFQROBUBTCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O2/c1-22(2)19-31-26(32)30(20-23-11-13-25(33-5)14-12-23)21-27(31)15-17-28(18-16-27,29(3)4)24-9-7-6-8-10-24/h6-14,22H,15-21H2,1-5H3.
What are the key properties of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 449.64 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).