1-methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione

C15H22N4O4 — CID 72895130

IUPAC1-methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(=O)N2CCC3(CCCN(C)C3=O)C2)C1=O
InChIInChI=1S/C15H22N4O4/c1-16-6-3-4-15(13(16)22)5-7-18(10-15)11(20)9-19-12(21)8-17(2)14(19)23/h3-10H2,1-2H3
InChIKeyDWVSASWKJYXYRR-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.65
Rot. Bonds2

About 1-methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione

1-methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 72895130) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID72895130
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name1-methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(=O)N2CCC3(CCCN(C)C3=O)C2)C1=O
InChIInChI=1S/C15H22N4O4/c1-16-6-3-4-15(13(16)22)5-7-18(10-15)11(20)9-19-12(21)8-17(2)14(19)23/h3-10H2,1-2H3
InChIKeyDWVSASWKJYXYRR-UHFFFAOYSA-N
XLogP-0.65
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 72895130) is 1-methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione is CN1CC(=O)N(CC(=O)N2CCC3(CCCN(C)C3=O)C2)C1=O.
What is the InChIKey of 1-methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is DWVSASWKJYXYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-16-6-3-4-15(13(16)22)5-7-18(10-15)11(20)9-19-12(21)8-17(2)14(19)23/h3-10H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
1-methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 322.37 g/mol, XLogP of -0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 72895130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).