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

C30H41N3O2 — CID 130200552

IUPAC8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-[(1-methylcyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3(C)CCC3)C2=O)cc1
InChIInChI=1S/C30H41N3O2/c1-28(15-8-16-28)22-33-27(34)32(21-24-11-13-26(35-4)14-12-24)23-29(33)17-19-30(20-18-29,31(2)3)25-9-6-5-7-10-25/h5-7,9-14H,8,15-23H2,1-4H3
InChIKeyRHAGFGQMVKOAOQ-UHFFFAOYSA-N
MW475.68 g/mol
LogP5.89
Rot. Bonds7

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

8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-[(1-methylcyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200552) has the molecular formula C30H41N3O2 and a molecular weight of 475.68 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-[(1-methylcyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-[(1-methylcyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200552
Molecular FormulaC30H41N3O2
Molecular Weight475.68 g/mol
Exact Mass475.32
IUPAC Name8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-[(1-methylcyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3(C)CCC3)C2=O)cc1
InChIInChI=1S/C30H41N3O2/c1-28(15-8-16-28)22-33-27(34)32(21-24-11-13-26(35-4)14-12-24)23-29(33)17-19-30(20-18-29,31(2)3)25-9-6-5-7-10-25/h5-7,9-14H,8,15-23H2,1-4H3
InChIKeyRHAGFGQMVKOAOQ-UHFFFAOYSA-N
XLogP5.89
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.68
LogP ≤ 55.89
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-[(1-methylcyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-[(1-methylcyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200552) is 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-[(1-methylcyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-[(1-methylcyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-[(1-methylcyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3(C)CCC3)C2=O)cc1.
What is the InChIKey of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-[(1-methylcyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is RHAGFGQMVKOAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O2/c1-28(15-8-16-28)22-33-27(34)32(21-24-11-13-26(35-4)14-12-24)23-29(33)17-19-30(20-18-29,31(2)3)25-9-6-5-7-10-25/h5-7,9-14H,8,15-23H2,1-4H3.
What are the key properties of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-[(1-methylcyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-[(1-methylcyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 475.68 g/mol, XLogP of 5.89, 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-[(1-methylcyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).