1,3-dimethyl-5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione

C16H26N4O3 — CID 131946503

IUPAC1,3-dimethyl-5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN1CCC2(CC1)CCN(C(=O)CC1C(=O)N(C)C(=O)N1C)C2
InChIInChI=1S/C16H26N4O3/c1-17-7-4-16(5-8-17)6-9-20(11-16)13(21)10-12-14(22)19(3)15(23)18(12)2/h12H,4-11H2,1-3H3
InChIKeyOYQUMDUWIJMBEJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.21
Rot. Bonds2

About 1,3-dimethyl-5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione

1,3-dimethyl-5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 131946503) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID131946503
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1,3-dimethyl-5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN1CCC2(CC1)CCN(C(=O)CC1C(=O)N(C)C(=O)N1C)C2
InChIInChI=1S/C16H26N4O3/c1-17-7-4-16(5-8-17)6-9-20(11-16)13(21)10-12-14(22)19(3)15(23)18(12)2/h12H,4-11H2,1-3H3
InChIKeyOYQUMDUWIJMBEJ-UHFFFAOYSA-N
XLogP0.21
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.21
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 1,3-dimethyl-5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 131946503) is 1,3-dimethyl-5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione is CN1CCC2(CC1)CCN(C(=O)CC1C(=O)N(C)C(=O)N1C)C2.
What is the InChIKey of 1,3-dimethyl-5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is OYQUMDUWIJMBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-17-7-4-16(5-8-17)6-9-20(11-16)13(21)10-12-14(22)19(3)15(23)18(12)2/h12H,4-11H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
1,3-dimethyl-5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 322.41 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 131946503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).