8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

C22H32N2O3 — CID 97190991

IUPAC8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)[C@@H](O)C(=O)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2
InChIInChI=1S/C22H32N2O3/c1-17(2)20(26)21(27)23-13-10-22(11-14-23)15-19(25)24(16-22)12-6-9-18-7-4-3-5-8-18/h3-5,7-8,17,20,26H,6,9-16H2,1-2H3/t20-/m1/s1
InChIKeyRICPXGSVKBFQIT-HXUWFJFHSA-N
MW372.51 g/mol
LogP2.48
Rot. Bonds6

About 8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97190991) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97190991
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)[C@@H](O)C(=O)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2
InChIInChI=1S/C22H32N2O3/c1-17(2)20(26)21(27)23-13-10-22(11-14-23)15-19(25)24(16-22)12-6-9-18-7-4-3-5-8-18/h3-5,7-8,17,20,26H,6,9-16H2,1-2H3/t20-/m1/s1
InChIKeyRICPXGSVKBFQIT-HXUWFJFHSA-N
XLogP2.48
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72925497
9-(2-hydroxy-3-methylbutanoyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72874579
9-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72843227
9-(2-methylsulfanylpropanoyl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72877158
8-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899673
2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97268865
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one
CID 72877372
8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72897530
2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 72854437
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899933
8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97139736
2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70746596

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 97190991) is 8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one is CC(C)[C@@H](O)C(=O)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2.
What is the InChIKey of 8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is RICPXGSVKBFQIT-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-17(2)20(26)21(27)23-13-10-22(11-14-23)15-19(25)24(16-22)12-6-9-18-7-4-3-5-8-18/h3-5,7-8,17,20,26H,6,9-16H2,1-2H3/t20-/m1/s1.
What are the key properties of 8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 372.51 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97190991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).