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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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).