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

C28H43N3O4 — CID 130202873

IUPAC8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-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)N2CC1(O)CCC1
InChIInChI=1S/C28H43N3O4/c1-29(2)28(23-7-4-3-5-8-23)13-11-25(12-14-28)21-30(18-15-26(33)16-19-35-20-17-26)24(32)31(25)22-27(34)9-6-10-27/h3-5,7-8,33-34H,6,9-22H2,1-2H3
InChIKeyPPBRDGUKGFRGNG-UHFFFAOYSA-N
MW485.67 g/mol
LogP3.34
Rot. Bonds7

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

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202873) has the molecular formula C28H43N3O4 and a molecular weight of 485.67 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202873
Molecular FormulaC28H43N3O4
Molecular Weight485.67 g/mol
Exact Mass485.33
IUPAC Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-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)N2CC1(O)CCC1
InChIInChI=1S/C28H43N3O4/c1-29(2)28(23-7-4-3-5-8-23)13-11-25(12-14-28)21-30(18-15-26(33)16-19-35-20-17-26)24(32)31(25)22-27(34)9-6-10-27/h3-5,7-8,33-34H,6,9-22H2,1-2H3
InChIKeyPPBRDGUKGFRGNG-UHFFFAOYSA-N
XLogP3.34
TPSA76.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.67
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10807989, Example SC_1318
CID 130200507
US10807989, Example SC_1302
CID 130200509
US10807989, Example SC_1063
CID 130200643
US10807989, Example SC_1304
CID 130200696
US10807989, Example SC_1355
CID 130200710
US10807989, Example SC_1209
CID 130200758
US10807989, Example SC_1173
CID 130200763
US10793528, Example SC_5017
CID 130200949
US10793528, Example SC_5053
CID 130201087
US10793528, Example SC_5076
CID 130201207
US10807989, Example SC_1058
CID 130201227
US10829480, Example SC_2177
CID 130202392

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202873) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-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)N2CC1(O)CCC1.
What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is PPBRDGUKGFRGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N3O4/c1-29(2)28(23-7-4-3-5-8-23)13-11-25(12-14-28)21-30(18-15-26(33)16-19-35-20-17-26)24(32)31(25)22-27(34)9-6-10-27/h3-5,7-8,33-34H,6,9-22H2,1-2H3.
What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 485.67 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).