8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(1-phenylcyclopropyl)-1,3-diazaspiro[4.5]decan-2-one

C30H39N3O2 — CID 130202392

IUPAC8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(1-phenylcyclopropyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(C1(c3ccccc3)CC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C30H39N3O2/c1-31(2)29(24-10-5-3-6-11-24)18-16-27(17-19-29)22-33(26(34)32(27)23-28(35)14-9-15-28)30(20-21-30)25-12-7-4-8-13-25/h3-8,10-13,35H,9,14-23H2,1-2H3
InChIKeySQVUGTPGSWROSO-UHFFFAOYSA-N
MW473.66 g/mol
LogP5.10
Rot. Bonds6

About 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(1-phenylcyclopropyl)-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(1-phenylcyclopropyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202392) has the molecular formula C30H39N3O2 and a molecular weight of 473.66 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(1-phenylcyclopropyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(1-phenylcyclopropyl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202392
Molecular FormulaC30H39N3O2
Molecular Weight473.66 g/mol
Exact Mass473.30
IUPAC Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(1-phenylcyclopropyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(C1(c3ccccc3)CC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C30H39N3O2/c1-31(2)29(24-10-5-3-6-11-24)18-16-27(17-19-29)22-33(26(34)32(27)23-28(35)14-9-15-28)30(20-21-30)25-12-7-4-8-13-25/h3-8,10-13,35H,9,14-23H2,1-2H3
InChIKeySQVUGTPGSWROSO-UHFFFAOYSA-N
XLogP5.10
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.66
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(1-phenylcyclopropyl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(1-phenylcyclopropyl)-1,3-diazaspiro[4.5]decan-2-one (CID 130202392) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(1-phenylcyclopropyl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(1-phenylcyclopropyl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(1-phenylcyclopropyl)-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1(c3ccccc3)CC1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(1-phenylcyclopropyl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is SQVUGTPGSWROSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O2/c1-31(2)29(24-10-5-3-6-11-24)18-16-27(17-19-29)22-33(26(34)32(27)23-28(35)14-9-15-28)30(20-21-30)25-12-7-4-8-13-25/h3-8,10-13,35H,9,14-23H2,1-2H3.
What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(1-phenylcyclopropyl)-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(1-phenylcyclopropyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 473.66 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(1-phenylcyclopropyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).