(5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-one

C25H28N2O2 — CID 166945681

IUPAC(5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-one
SMILESCc1ccc(-c2cccc(C(=O)N3CC[C@]4(C=C(N)C(=O)C(C)(C)C4)C3)c2)cc1
InChIInChI=1S/C25H28N2O2/c1-17-7-9-18(10-8-17)19-5-4-6-20(13-19)23(29)27-12-11-25(16-27)14-21(26)22(28)24(2,3)15-25/h4-10,13-14H,11-12,15-16,26H2,1-3H3/t25-/m1/s1
InChIKeySVWOZANSGFIFPV-RUZDIDTESA-N
MW388.51 g/mol
LogP4.34
Rot. Bonds2

About (5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-one

(5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-one (PubChem CID 166945681) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-one.

Molecular Properties

Compound Name(5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-one
PubChem CID166945681
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name(5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-one
SMILESCc1ccc(-c2cccc(C(=O)N3CC[C@]4(C=C(N)C(=O)C(C)(C)C4)C3)c2)cc1
InChIInChI=1S/C25H28N2O2/c1-17-7-9-18(10-8-17)19-5-4-6-20(13-19)23(29)27-12-11-25(16-27)14-21(26)22(28)24(2,3)15-25/h4-10,13-14H,11-12,15-16,26H2,1-3H3/t25-/m1/s1
InChIKeySVWOZANSGFIFPV-RUZDIDTESA-N
XLogP4.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-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

(5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 162442117
(5S)-7-amino-2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 166945918
(5R)-7-amino-2-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 162441670
2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 162442130
6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
CID 166945780
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
7-amino-2-[5-(difluoromethyl)-3-fluoropyridine-2-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 166945794
(5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 166945738
(5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 166945759
(5S)-2-(3-cyano-4-fluorobenzoyl)-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169024197
6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one
CID 166946107
6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one
CID 162442437

Frequently Asked Questions

What is the IUPAC name of (5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-one?
The IUPAC name of (5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-one (CID 166945681) is (5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-one.
What is the SMILES notation for (5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-one?
The canonical SMILES for (5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-one is Cc1ccc(-c2cccc(C(=O)N3CC[C@]4(C=C(N)C(=O)C(C)(C)C4)C3)c2)cc1.
What is the InChIKey of (5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-one?
The InChIKey is SVWOZANSGFIFPV-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N2O2/c1-17-7-9-18(10-8-17)19-5-4-6-20(13-19)23(29)27-12-11-25(16-27)14-21(26)22(28)24(2,3)15-25/h4-10,13-14H,11-12,15-16,26H2,1-3H3/t25-/m1/s1.
What are the key properties of (5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-one?
(5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-one has a molecular weight of 388.51 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-amino-9,9-dimethyl-2-[3-(4-methylphenyl)benzoyl]-2-azaspiro[4.5]dec-6-en-8-one is sourced from PubChem (CID 166945681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).