3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide

C25H40N4O3 — CID 130201038

IUPAC3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
SMILESCOCCCN1C(=O)N(CC(C)(C)C(N)=O)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C25H40N4O3/c1-23(2,21(26)30)18-28-19-24(29(22(28)31)16-9-17-32-5)12-14-25(15-13-24,27(3)4)20-10-7-6-8-11-20/h6-8,10-11H,9,12-19H2,1-5H3,(H2,26,30)
InChIKeyRDNDOROHEDXCDD-UHFFFAOYSA-N
MW444.62 g/mol
LogP3.04
Rot. Bonds9

About 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide

3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide (PubChem CID 130201038) has the molecular formula C25H40N4O3 and a molecular weight of 444.62 g/mol. Its IUPAC name is 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
PubChem CID130201038
Molecular FormulaC25H40N4O3
Molecular Weight444.62 g/mol
Exact Mass444.31
IUPAC Name3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
SMILESCOCCCN1C(=O)N(CC(C)(C)C(N)=O)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C25H40N4O3/c1-23(2,21(26)30)18-28-19-24(29(22(28)31)16-9-17-32-5)12-14-25(15-13-24,27(3)4)20-10-7-6-8-11-20/h6-8,10-11H,9,12-19H2,1-5H3,(H2,26,30)
InChIKeyRDNDOROHEDXCDD-UHFFFAOYSA-N
XLogP3.04
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide (CID 130201038) is 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide is COCCCN1C(=O)N(CC(C)(C)C(N)=O)CC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The InChIKey is RDNDOROHEDXCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O3/c1-23(2,21(26)30)18-28-19-24(29(22(28)31)16-9-17-32-5)12-14-25(15-13-24,27(3)4)20-10-7-6-8-11-20/h6-8,10-11H,9,12-19H2,1-5H3,(H2,26,30).
What are the key properties of 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide has a molecular weight of 444.62 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 130201038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).