2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide

C26H40N4O5S — CID 130200699

IUPAC2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCCS(C)(=O)=O)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C26H40N4O5S/c1-28(2)26(21-8-5-4-6-9-21)14-12-24(13-15-26)19-29(18-22(31)27-16-17-36(3,34)35)23(32)30(24)20-25(33)10-7-11-25/h4-6,8-9,33H,7,10-20H2,1-3H3,(H,27,31)
InChIKeyUGBJXNMYUSDIJR-UHFFFAOYSA-N
MW520.70 g/mol
LogP1.57
Rot. Bonds9

About 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide

2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide (PubChem CID 130200699) has the molecular formula C26H40N4O5S and a molecular weight of 520.70 g/mol. Its IUPAC name is 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide
PubChem CID130200699
Molecular FormulaC26H40N4O5S
Molecular Weight520.70 g/mol
Exact Mass520.27
IUPAC Name2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCCS(C)(=O)=O)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C26H40N4O5S/c1-28(2)26(21-8-5-4-6-9-21)14-12-24(13-15-26)19-29(18-22(31)27-16-17-36(3,34)35)23(32)30(24)20-25(33)10-7-11-25/h4-6,8-9,33H,7,10-20H2,1-3H3,(H,27,31)
InChIKeyUGBJXNMYUSDIJR-UHFFFAOYSA-N
XLogP1.57
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.70
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide (CID 130200699) is 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCCS(C)(=O)=O)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is UGBJXNMYUSDIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O5S/c1-28(2)26(21-8-5-4-6-9-21)14-12-24(13-15-26)19-29(18-22(31)27-16-17-36(3,34)35)23(32)30(24)20-25(33)10-7-11-25/h4-6,8-9,33H,7,10-20H2,1-3H3,(H,27,31).
What are the key properties of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide?
2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 520.70 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide is sourced from PubChem (CID 130200699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).