(5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione

C20H26N2O3 — CID 126729132

IUPAC(5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(C)C1CC[C@@H](C)C[C@]12NC(=O)N(CC(=O)c1ccccc1)C2=O
InChIInChI=1S/C20H26N2O3/c1-13(2)16-10-9-14(3)11-20(16)18(24)22(19(25)21-20)12-17(23)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,21,25)/t14-,16?,20+/m1/s1
InChIKeyKIBFWEQMFFTPJR-WWUFKLEJSA-N
MW342.44 g/mol
LogP3.25
Rot. Bonds4

About (5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione

(5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 126729132) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID126729132
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(C)C1CC[C@@H](C)C[C@]12NC(=O)N(CC(=O)c1ccccc1)C2=O
InChIInChI=1S/C20H26N2O3/c1-13(2)16-10-9-14(3)11-20(16)18(24)22(19(25)21-20)12-17(23)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,21,25)/t14-,16?,20+/m1/s1
InChIKeyKIBFWEQMFFTPJR-WWUFKLEJSA-N
XLogP3.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

5-cyclobutyl-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 90358668
5-methyl-5-(3-methylcyclohexyl)-3-phenacylimidazolidine-2,4-dione
CID 90358274
N-[4-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]phenyl]benzamide
CID 7630356
(5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7181755
phenacyl 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7480580
(5S,6S)-3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 11888805
(5S,6R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680984
(5S,6R)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40791004
(5R,6S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680971
(5S,6R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680977
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 94815323
N-[(1R)-1-[4-[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]ethyl]acetamide
CID 9474372

Frequently Asked Questions

What is the IUPAC name of (5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 126729132) is (5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione is CC(C)C1CC[C@@H](C)C[C@]12NC(=O)N(CC(=O)c1ccccc1)C2=O.
What is the InChIKey of (5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is KIBFWEQMFFTPJR-WWUFKLEJSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13(2)16-10-9-14(3)11-20(16)18(24)22(19(25)21-20)12-17(23)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,21,25)/t14-,16?,20+/m1/s1.
What are the key properties of (5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 342.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R)-9-methyl-3-phenacyl-6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 126729132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).