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

C25H40N4O3 — CID 138514705

IUPAC3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CCCOC)C1=O
InChIInChI=1S/C25H40N4O3/c1-5-26-22(30)12-18-28-20-24(29(23(28)31)17-9-19-32-4)13-15-25(16-14-24,27(2)3)21-10-7-6-8-11-21/h6-8,10-11H,5,9,12-20H2,1-4H3,(H,26,30)
InChIKeyCDRIGGURPMYFPL-UHFFFAOYSA-N
MW444.62 g/mol
LogP3.06
Rot. Bonds10

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

3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-ethylpropanamide (PubChem CID 138514705) 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]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-ethylpropanamide
PubChem CID138514705
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]-N-ethylpropanamide
SMILESCCNC(=O)CCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CCCOC)C1=O
InChIInChI=1S/C25H40N4O3/c1-5-26-22(30)12-18-28-20-24(29(23(28)31)17-9-19-32-4)13-15-25(16-14-24,27(2)3)21-10-7-6-8-11-21/h6-8,10-11H,5,9,12-20H2,1-4H3,(H,26,30)
InChIKeyCDRIGGURPMYFPL-UHFFFAOYSA-N
XLogP3.06
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 53.06
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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Related Compounds

2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-phenylacetamide
CID 130229822
8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 159224014
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 158020054
8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 159230550
2-[8-(dimethylamino)-2-oxo-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;hydrochloride
CID 130200787
8-(dimethylamino)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130200736
8-(dimethylamino)-1-(3-hydroxypropyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202565
2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile
CID 130201351
3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-methylidene-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
CID 155200071
8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
CID 130200622
1-(cyclobutylmethyl)-3-[3-(3,4-dihydroxypyrrolidin-1-yl)-3-oxopropyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201035
8-(dimethylamino)-1-(3-hydroxy-3-methylbutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202404

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]-N-ethylpropanamide?
The IUPAC name of 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-ethylpropanamide (CID 138514705) is 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-ethylpropanamide.
What is the SMILES notation for 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-ethylpropanamide?
The canonical SMILES for 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-ethylpropanamide is CCNC(=O)CCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CCCOC)C1=O.
What is the InChIKey of 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-ethylpropanamide?
The InChIKey is CDRIGGURPMYFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O3/c1-5-26-22(30)12-18-28-20-24(29(23(28)31)17-9-19-32-4)13-15-25(16-14-24,27(2)3)21-10-7-6-8-11-21/h6-8,10-11H,5,9,12-20H2,1-4H3,(H,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]-N-ethylpropanamide?
3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-ethylpropanamide has a molecular weight of 444.62 g/mol, XLogP of 3.06, 10 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]-N-ethylpropanamide is sourced from PubChem (CID 138514705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).