1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C28H43N3O3 — CID 130202902

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC1(O)CCOCC1)C(=O)N2CC1CCC1
InChIInChI=1S/C28H43N3O3/c1-29(2)28(24-9-4-3-5-10-24)13-11-26(12-14-28)22-30(18-15-27(33)16-19-34-20-17-27)25(32)31(26)21-23-7-6-8-23/h3-5,9-10,23,33H,6-8,11-22H2,1-2H3
InChIKeyZBJRMAOMVCZNQV-UHFFFAOYSA-N
MW469.67 g/mol
LogP4.23
Rot. Bonds7

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202902) has the molecular formula C28H43N3O3 and a molecular weight of 469.67 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202902
Molecular FormulaC28H43N3O3
Molecular Weight469.67 g/mol
Exact Mass469.33
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC1(O)CCOCC1)C(=O)N2CC1CCC1
InChIInChI=1S/C28H43N3O3/c1-29(2)28(24-9-4-3-5-10-24)13-11-26(12-14-28)22-30(18-15-27(33)16-19-34-20-17-27)25(32)31(26)21-23-7-6-8-23/h3-5,9-10,23,33H,6-8,11-22H2,1-2H3
InChIKeyZBJRMAOMVCZNQV-UHFFFAOYSA-N
XLogP4.23
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.67
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10807989, Example SC_1318
CID 130200507
US10807989, Example SC_1063
CID 130200643
US10807989, Example SC_1361
CID 130200686
US10807989, Example SC_1355
CID 130200710
US10793528, Example SC_5076
CID 130201207
US10829480, Example SC_2177
CID 130202392
US10829480, Example SC_2174
CID 130202427
US10829480, Example SC_2124
CID 130202491
US10793556, Example SC_4022
CID 130202884
US10793556, Example SC_4007
CID 130202900
US10793556, Example SC_4006
CID 130202920
US10793556, Example SC_4003
CID 130202930

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202902) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC1(O)CCOCC1)C(=O)N2CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is ZBJRMAOMVCZNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N3O3/c1-29(2)28(24-9-4-3-5-10-24)13-11-26(12-14-28)22-30(18-15-27(33)16-19-34-20-17-27)25(32)31(26)21-23-7-6-8-23/h3-5,9-10,23,33H,6-8,11-22H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 469.67 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).