8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one

C23H28N2O3 — CID 95895519

IUPAC8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(C(=O)C[C@@H](Cc3ccccc3)c3ccco3)CC2)CC1=O
InChIInChI=1S/C23H28N2O3/c1-24-17-23(16-22(24)27)9-11-25(12-10-23)21(26)15-19(20-8-5-13-28-20)14-18-6-3-2-4-7-18/h2-8,13,19H,9-12,14-17H2,1H3/t19-/m1/s1
InChIKeyNNGSAUDUQPNTMJ-LJQANCHMSA-N
MW380.49 g/mol
LogP3.47
Rot. Bonds5

About 8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one

8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 95895519) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID95895519
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(C(=O)C[C@@H](Cc3ccccc3)c3ccco3)CC2)CC1=O
InChIInChI=1S/C23H28N2O3/c1-24-17-23(16-22(24)27)9-11-25(12-10-23)21(26)15-19(20-8-5-13-28-20)14-18-6-3-2-4-7-18/h2-8,13,19H,9-12,14-17H2,1H3/t19-/m1/s1
InChIKeyNNGSAUDUQPNTMJ-LJQANCHMSA-N
XLogP3.47
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-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

3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 91778220
3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one
CID 131907306
(3S)-1-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-(furan-2-yl)-4-phenylbutan-1-one
CID 126454260
(3R)-1-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-(furan-2-yl)-4-phenylbutan-1-one
CID 126454261
1-(3,4-diphenylbutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119257616
8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70761976
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one
CID 72877372
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899933
2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70755266
2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70746596
(5S)-2-methyl-7-(3-methylbutanoyl)-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 98634691
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride
CID 120809772

Frequently Asked Questions

What is the IUPAC name of 8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one (CID 95895519) is 8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one is CN1CC2(CCN(C(=O)C[C@@H](Cc3ccccc3)c3ccco3)CC2)CC1=O.
What is the InChIKey of 8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is NNGSAUDUQPNTMJ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-24-17-23(16-22(24)27)9-11-25(12-10-23)21(26)15-19(20-8-5-13-28-20)14-18-6-3-2-4-7-18/h2-8,13,19H,9-12,14-17H2,1H3/t19-/m1/s1.
What are the key properties of 8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 380.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 95895519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).