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

C30H41N3O2 — CID 130202427

IUPAC8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(C(C)(C)c1ccccc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C30H41N3O2/c1-27(2,24-12-7-5-8-13-24)32-22-28(33(26(32)34)23-29(35)16-11-17-29)18-20-30(21-19-28,31(3)4)25-14-9-6-10-15-25/h5-10,12-15,35H,11,16-23H2,1-4H3
InChIKeyKEJAMOZPQKFSEI-UHFFFAOYSA-N
MW475.68 g/mol
LogP5.34
Rot. Bonds6

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

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202427) has the molecular formula C30H41N3O2 and a molecular weight of 475.68 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202427
Molecular FormulaC30H41N3O2
Molecular Weight475.68 g/mol
Exact Mass475.32
IUPAC Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(C(C)(C)c1ccccc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C30H41N3O2/c1-27(2,24-12-7-5-8-13-24)32-22-28(33(26(32)34)23-29(35)16-11-17-29)18-20-30(21-19-28,31(3)4)25-14-9-6-10-15-25/h5-10,12-15,35H,11,16-23H2,1-4H3
InChIKeyKEJAMOZPQKFSEI-UHFFFAOYSA-N
XLogP5.34
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.68
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10738015, Example SC-42
CID 137407689
US10793556, Example SC_4089
CID 130202939
US10807989, Example SC_1319
CID 130200476
US10807989, Example SC_1172
CID 130200494
US10807989, Example SC_1318
CID 130200507
US10807989, Example SC_1302
CID 130200509
US10807989, Example SC_1159
CID 130200530
US10807989, Example SC_1010
CID 130200538
US10829480, Example SC_2096
CID 130200555
US10807989, Example SC_1018
CID 130200570
US10829480, Example SC_2114
CID 130200576
US10807989, Example SC_1062
CID 130200577

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one (CID 130202427) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(C(C)(C)c1ccccc1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is KEJAMOZPQKFSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O2/c1-27(2,24-12-7-5-8-13-24)32-22-28(33(26(32)34)23-29(35)16-11-17-29)18-20-30(21-19-28,31(3)4)25-14-9-6-10-15-25/h5-10,12-15,35H,11,16-23H2,1-4H3.
What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 475.68 g/mol, XLogP of 5.34, 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-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).