3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide

C16H23N3O4 — CID 73257802

IUPAC3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCC1NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C16H23N3O4/c1-11(2)7-8-17-14(20)6-5-13-15(21)19(16(22)18-13)10-12-4-3-9-23-12/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyJXVILTQUDIBSGS-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.64
Rot. Bonds8

About 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide

3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide (PubChem CID 73257802) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
PubChem CID73257802
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCC1NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C16H23N3O4/c1-11(2)7-8-17-14(20)6-5-13-15(21)19(16(22)18-13)10-12-4-3-9-23-12/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyJXVILTQUDIBSGS-UHFFFAOYSA-N
XLogP1.64
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
CID 75489558
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73258555
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91901529
N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91639661
3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 91639750
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 110209925
N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51835059
N-(1H-benzimidazol-2-ylmethyl)-3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75357193
N-(1-benzylpiperidin-4-yl)-3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75531749
3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 110210455
N-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51833605
(5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 99870969

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide (CID 73257802) is 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCC1NC(=O)N(Cc2ccco2)C1=O.
What is the InChIKey of 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide?
The InChIKey is JXVILTQUDIBSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-11(2)7-8-17-14(20)6-5-13-15(21)19(16(22)18-13)10-12-4-3-9-23-12/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,17,20)(H,18,22).
What are the key properties of 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide?
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide has a molecular weight of 321.38 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 73257802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).