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

C26H41N3O3 — CID 130202920

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(2-methoxyethoxy)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCOCCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C26H41N3O3/c1-27(2)26(23-10-5-4-6-11-23)14-12-25(13-15-26)21-28(16-17-32-19-18-31-3)24(30)29(25)20-22-8-7-9-22/h4-6,10-11,22H,7-9,12-21H2,1-3H3
InChIKeyIXLJUJJAUZJZJP-UHFFFAOYSA-N
MW443.63 g/mol
LogP3.96
Rot. Bonds10

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

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(2-methoxyethoxy)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202920) has the molecular formula C26H41N3O3 and a molecular weight of 443.63 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(2-methoxyethoxy)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(2-methoxyethoxy)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202920
Molecular FormulaC26H41N3O3
Molecular Weight443.63 g/mol
Exact Mass443.31
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(2-methoxyethoxy)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCOCCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C26H41N3O3/c1-27(2)26(23-10-5-4-6-11-23)14-12-25(13-15-26)21-28(16-17-32-19-18-31-3)24(30)29(25)20-22-8-7-9-22/h4-6,10-11,22H,7-9,12-21H2,1-3H3
InChIKeyIXLJUJJAUZJZJP-UHFFFAOYSA-N
XLogP3.96
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.63
LogP ≤ 53.96
H-Bond Donors ≤ 50
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 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(2-methoxyethoxy)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(2-methoxyethoxy)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202920) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(2-methoxyethoxy)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(2-methoxyethoxy)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(2-methoxyethoxy)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COCCOCCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(2-methoxyethoxy)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is IXLJUJJAUZJZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O3/c1-27(2)26(23-10-5-4-6-11-23)14-12-25(13-15-26)21-28(16-17-32-19-18-31-3)24(30)29(25)20-22-8-7-9-22/h4-6,10-11,22H,7-9,12-21H2,1-3H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(2-methoxyethoxy)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(2-methoxyethoxy)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 443.63 g/mol, XLogP of 3.96, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(2-methoxyethoxy)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).