2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide

C16H21N3O6 — CID 9374714

IUPAC2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1C(=O)C(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C16H21N3O6/c1-11(2)24-8-4-6-17-13(20)10-19-15(22)14(21)18(16(19)23)9-12-5-3-7-25-12/h3,5,7,11H,4,6,8-10H2,1-2H3,(H,17,20)
InChIKeyZHAWGEHVRLUTMD-UHFFFAOYSA-N
MW351.36 g/mol
LogP0.50
Rot. Bonds9

About 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide

2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 9374714) has the molecular formula C16H21N3O6 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID9374714
Molecular FormulaC16H21N3O6
Molecular Weight351.36 g/mol
Exact Mass351.14
IUPAC Name2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1C(=O)C(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C16H21N3O6/c1-11(2)24-8-4-6-17-13(20)10-19-15(22)14(21)18(16(19)23)9-12-5-3-7-25-12/h3,5,7,11H,4,6,8-10H2,1-2H3,(H,17,20)
InChIKeyZHAWGEHVRLUTMD-UHFFFAOYSA-N
XLogP0.50
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 9374600
N-tert-butyl-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 9374605
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 9374673
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 39710283
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 9374666
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4782480
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(3-propan-2-yloxypropyl)guanidine
CID 111246575
2-[2,2-dioxo-3-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-2λ6,1,3-benzothiadiazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 55583841
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 7819706
N-(3-butoxypropyl)-2-(furan-2-yl)acetamide
CID 110484658
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide
CID 7819743

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide (CID 9374714) is 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN1C(=O)C(=O)N(Cc2ccco2)C1=O.
What is the InChIKey of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is ZHAWGEHVRLUTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6/c1-11(2)24-8-4-6-17-13(20)10-19-15(22)14(21)18(16(19)23)9-12-5-3-7-25-12/h3,5,7,11H,4,6,8-10H2,1-2H3,(H,17,20).
What are the key properties of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 351.36 g/mol, XLogP of 0.50, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 9374714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).