N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

C16H18N4O6 — CID 9375196

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)NCc2ccco2)C1=O
InChIInChI=1S/C16H18N4O6/c1-3-6-19-14(23)15(24)20(16(19)25)10-13(22)18(2)9-12(21)17-8-11-5-4-7-26-11/h3-5,7H,1,6,8-10H2,2H3,(H,17,21)
InChIKeyXLOWFINZSSBSNC-UHFFFAOYSA-N
MW362.34 g/mol
LogP-0.67
Rot. Bonds8

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (PubChem CID 9375196) has the molecular formula C16H18N4O6 and a molecular weight of 362.34 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
PubChem CID9375196
Molecular FormulaC16H18N4O6
Molecular Weight362.34 g/mol
Exact Mass362.12
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)NCc2ccco2)C1=O
InChIInChI=1S/C16H18N4O6/c1-3-6-19-14(23)15(24)20(16(19)25)10-13(22)18(2)9-12(21)17-8-11-5-4-7-26-11/h3-5,7H,1,6,8-10H2,2H3,(H,17,21)
InChIKeyXLOWFINZSSBSNC-UHFFFAOYSA-N
XLogP-0.67
TPSA120.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide
CID 9253639
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 9374666
2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 9254974
methyl 1-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 9254514
N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 95294364
2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276164
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 9253771
1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione
CID 7807334
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 9374673
[2-(furan-2-ylmethylamino)-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 7359871
[5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium
CID 9377520
N-(furan-2-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 112779007

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (CID 9375196) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)NCc2ccco2)C1=O.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The InChIKey is XLOWFINZSSBSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O6/c1-3-6-19-14(23)15(24)20(16(19)25)10-13(22)18(2)9-12(21)17-8-11-5-4-7-26-11/h3-5,7H,1,6,8-10H2,2H3,(H,17,21).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide has a molecular weight of 362.34 g/mol, XLogP of -0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 9375196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).