4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide

C15H21N3O4 — CID 18109840

IUPAC4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
SMILESCN(Cc1ccco1)C(=O)CCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C15H21N3O4/c1-15(2)13(20)18(14(21)16-15)8-4-7-12(19)17(3)10-11-6-5-9-22-11/h5-6,9H,4,7-8,10H2,1-3H3,(H,16,21)
InChIKeyXFDUMKSCFUFZHT-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.35
Rot. Bonds6

About 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide (PubChem CID 18109840) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
PubChem CID18109840
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
SMILESCN(Cc1ccco1)C(=O)CCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C15H21N3O4/c1-15(2)13(20)18(14(21)16-15)8-4-7-12(19)17(3)10-11-6-5-9-22-11/h5-6,9H,4,7-8,10H2,1-3H3,(H,16,21)
InChIKeyXFDUMKSCFUFZHT-UHFFFAOYSA-N
XLogP1.35
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.35
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

4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 27739569
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide
CID 18117086
5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
CID 107908125
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide
CID 18120004
3-[2-[benzyl(furan-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 34185684
N-[2-(4-chlorophenoxy)ethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
CID 47008586
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363385
N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 78852295
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 2555447
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 51879775
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
CID 24515219
N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18142231

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide?
The IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide (CID 18109840) is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide.
What is the SMILES notation for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide?
The canonical SMILES for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide is CN(Cc1ccco1)C(=O)CCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide?
The InChIKey is XFDUMKSCFUFZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-15(2)13(20)18(14(21)16-15)8-4-7-12(19)17(3)10-11-6-5-9-22-11/h5-6,9H,4,7-8,10H2,1-3H3,(H,16,21).
What are the key properties of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide?
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide has a molecular weight of 307.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide is sourced from PubChem (CID 18109840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).