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

C29H39N3O2 — CID 130202491

IUPAC8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCc1ccccc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C29H39N3O2/c1-30(2)29(25-12-7-4-8-13-25)19-17-27(18-20-29)22-31(21-14-24-10-5-3-6-11-24)26(33)32(27)23-28(34)15-9-16-28/h3-8,10-13,34H,9,14-23H2,1-2H3
InChIKeyVFVLDDWIJAMRTA-UHFFFAOYSA-N
MW461.65 g/mol
LogP4.65
Rot. Bonds7

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

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202491) has the molecular formula C29H39N3O2 and a molecular weight of 461.65 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202491
Molecular FormulaC29H39N3O2
Molecular Weight461.65 g/mol
Exact Mass461.30
IUPAC Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCc1ccccc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C29H39N3O2/c1-30(2)29(25-12-7-4-8-13-25)19-17-27(18-20-29)22-31(21-14-24-10-5-3-6-11-24)26(33)32(27)23-28(34)15-9-16-28/h3-8,10-13,34H,9,14-23H2,1-2H3
InChIKeyVFVLDDWIJAMRTA-UHFFFAOYSA-N
XLogP4.65
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.65
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one (CID 130202491) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCc1ccccc1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is VFVLDDWIJAMRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O2/c1-30(2)29(25-12-7-4-8-13-25)19-17-27(18-20-29)22-31(21-14-24-10-5-3-6-11-24)26(33)32(27)23-28(34)15-9-16-28/h3-8,10-13,34H,9,14-23H2,1-2H3.
What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 461.65 g/mol, XLogP of 4.65, 7 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-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).