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

C28H45N3O4 — CID 130202930

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCOCCOCCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C28H45N3O4/c1-29(2)28(25-10-5-4-6-11-25)14-12-27(13-15-28)23-30(16-17-34-20-21-35-19-18-33-3)26(32)31(27)22-24-8-7-9-24/h4-6,10-11,24H,7-9,12-23H2,1-3H3
InChIKeyPKOACDRGEYVKDW-UHFFFAOYSA-N
MW487.69 g/mol
LogP3.97
Rot. Bonds13

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

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202930) has the molecular formula C28H45N3O4 and a molecular weight of 487.69 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202930
Molecular FormulaC28H45N3O4
Molecular Weight487.69 g/mol
Exact Mass487.34
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCOCCOCCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C28H45N3O4/c1-29(2)28(25-10-5-4-6-11-25)14-12-27(13-15-28)23-30(16-17-34-20-21-35-19-18-33-3)26(32)31(27)22-24-8-7-9-24/h4-6,10-11,24H,7-9,12-23H2,1-3H3
InChIKeyPKOACDRGEYVKDW-UHFFFAOYSA-N
XLogP3.97
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.69
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1346
CID 130200550
US10807989, Example SC_1359
CID 130200636
US10738015, Example SC-37
CID 137407637
US10807989, Example SC_1122
CID 130200450
US10807989, Example SC_1177
CID 130200460
CIS-N-(Carbamoyl-methyl)-2-[1-(cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-acetamide
CID 130200475
US10807989, Example SC_1318
CID 130200507
US10807989, Example SC_1197
CID 130200526
US10807989, Example SC_1010
CID 130200538
US10807989, Example SC_1358
CID 130200540
US10807989, Example SC_1023
CID 130200542

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202930) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COCCOCCOCCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is PKOACDRGEYVKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45N3O4/c1-29(2)28(25-10-5-4-6-11-25)14-12-27(13-15-28)23-30(16-17-34-20-21-35-19-18-33-3)26(32)31(27)22-24-8-7-9-24/h4-6,10-11,24H,7-9,12-23H2,1-3H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 487.69 g/mol, XLogP of 3.97, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).