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

C30H49N3O5 — CID 130202949

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCOCCOCCOCCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C30H49N3O5/c1-31(2)30(27-10-5-4-6-11-27)14-12-29(13-15-30)25-32(28(34)33(29)24-26-8-7-9-26)16-17-36-20-21-38-23-22-37-19-18-35-3/h4-6,10-11,26H,7-9,12-25H2,1-3H3
InChIKeyUMMKSWWYJDBWCX-UHFFFAOYSA-N
MW531.74 g/mol
LogP3.99
Rot. Bonds16

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

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202949) has the molecular formula C30H49N3O5 and a molecular weight of 531.74 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202949
Molecular FormulaC30H49N3O5
Molecular Weight531.74 g/mol
Exact Mass531.37
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCOCCOCCOCCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C30H49N3O5/c1-31(2)30(27-10-5-4-6-11-27)14-12-29(13-15-30)25-32(28(34)33(29)24-26-8-7-9-26)16-17-36-20-21-38-23-22-37-19-18-35-3/h4-6,10-11,26H,7-9,12-25H2,1-3H3
InChIKeyUMMKSWWYJDBWCX-UHFFFAOYSA-N
XLogP3.99
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.74
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202949) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]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-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COCCOCCOCCOCCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is UMMKSWWYJDBWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49N3O5/c1-31(2)30(27-10-5-4-6-11-27)14-12-29(13-15-30)25-32(28(34)33(29)24-26-8-7-9-26)16-17-36-20-21-38-23-22-37-19-18-35-3/h4-6,10-11,26H,7-9,12-25H2,1-3H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 531.74 g/mol, XLogP of 3.99, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).