5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

C19H33N3O3 — CID 86965968

IUPAC5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCC(C)CCC2C(C)C)C1=O
InChIInChI=1S/C19H33N3O3/c1-6-19(7-2)17(24)22(18(25)20-19)12-16(23)21-11-10-14(5)8-9-15(21)13(3)4/h13-15H,6-12H2,1-5H3,(H,20,25)
InChIKeyXBPXRRHDQCIEKK-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.77
Rot. Bonds5

About 5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 86965968) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID86965968
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCC(C)CCC2C(C)C)C1=O
InChIInChI=1S/C19H33N3O3/c1-6-19(7-2)17(24)22(18(25)20-19)12-16(23)21-11-10-14(5)8-9-15(21)13(3)4/h13-15H,6-12H2,1-5H3,(H,20,25)
InChIKeyXBPXRRHDQCIEKK-UHFFFAOYSA-N
XLogP2.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 120573174
3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride
CID 120573173
1-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122114372
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 119375972
3-amino-1-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]propan-1-one
CID 99849531
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 8569279
3-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride
CID 119423789
5,5-diethyl-3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95569598
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 112763595
5,5-diethyl-3-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 86823322
5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 139002491
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 18775726

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 86965968) is 5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(=O)N2CCC(C)CCC2C(C)C)C1=O.
What is the InChIKey of 5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is XBPXRRHDQCIEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-6-19(7-2)17(24)22(18(25)20-19)12-16(23)21-11-10-14(5)8-9-15(21)13(3)4/h13-15H,6-12H2,1-5H3,(H,20,25).
What are the key properties of 5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 351.49 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 86965968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).