5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C19H27N3O4 — CID 139002491

IUPAC5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCCCCC2c2ccco2)C1=O
InChIInChI=1S/C19H27N3O4/c1-3-19(4-2)17(24)22(18(25)20-19)13-16(23)21-11-7-5-6-9-14(21)15-10-8-12-26-15/h8,10,12,14H,3-7,9,11,13H2,1-2H3,(H,20,25)
InChIKeyORFBSGXNQWCRFH-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.83
Rot. Bonds5

About 5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 139002491) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID139002491
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCCCCC2c2ccco2)C1=O
InChIInChI=1S/C19H27N3O4/c1-3-19(4-2)17(24)22(18(25)20-19)13-16(23)21-11-7-5-6-9-14(21)15-10-8-12-26-15/h8,10,12,14H,3-7,9,11,13H2,1-2H3,(H,20,25)
InChIKeyORFBSGXNQWCRFH-UHFFFAOYSA-N
XLogP2.83
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 97126401
3-[2-[2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 72876827
3-[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 3940835
5,5-diethyl-3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95569598
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
1-[2-(furan-2-yl)azepan-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 131897278
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one
CID 75371938
5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one
CID 97210433
(4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone
CID 95352268
4-[3-[2-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]benzoic acid
CID 75516621

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 139002491) is 5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(=O)N2CCCCCC2c2ccco2)C1=O.
What is the InChIKey of 5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is ORFBSGXNQWCRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-3-19(4-2)17(24)22(18(25)20-19)13-16(23)21-11-7-5-6-9-14(21)15-10-8-12-26-15/h8,10,12,14H,3-7,9,11,13H2,1-2H3,(H,20,25).
What are the key properties of 5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 361.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 139002491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).