N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

C17H19N3O5 — CID 95294364

IUPACN-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)N(C2CC2)[C@H](C)c2ccco2)C1=O
InChIInChI=1S/C17H19N3O5/c1-3-8-18-15(22)16(23)19(17(18)24)10-14(21)20(12-6-7-12)11(2)13-5-4-9-25-13/h3-5,9,11-12H,1,6-8,10H2,2H3/t11-/m1/s1
InChIKeyZUYWBVBGEJOLPW-LLVKDONJSA-N
MW345.36 g/mol
LogP1.31
Rot. Bonds7

About N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (PubChem CID 95294364) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
PubChem CID95294364
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC NameN-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)N(C2CC2)[C@H](C)c2ccco2)C1=O
InChIInChI=1S/C17H19N3O5/c1-3-8-18-15(22)16(23)19(17(18)24)10-14(21)20(12-6-7-12)11(2)13-5-4-9-25-13/h3-5,9,11-12H,1,6-8,10H2,2H3/t11-/m1/s1
InChIKeyZUYWBVBGEJOLPW-LLVKDONJSA-N
XLogP1.31
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (CID 95294364) is N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is C=CCN1C(=O)C(=O)N(CC(=O)N(C2CC2)[C@H](C)c2ccco2)C1=O.
What is the InChIKey of N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The InChIKey is ZUYWBVBGEJOLPW-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-3-8-18-15(22)16(23)19(17(18)24)10-14(21)20(12-6-7-12)11(2)13-5-4-9-25-13/h3-5,9,11-12H,1,6-8,10H2,2H3/t11-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide has a molecular weight of 345.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 95294364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).