3-(3-prop-2-enoyloxypropylcarbamoylamino)propyl prop-2-enoate

C13H20N2O5 — CID 15208797

IUPAC3-(3-prop-2-enoyloxypropylcarbamoylamino)propyl prop-2-enoate
SMILESC=CC(=O)OCCCNC(=O)NCCCOC(=O)C=C
InChIInChI=1S/C13H20N2O5/c1-3-11(16)19-9-5-7-14-13(18)15-8-6-10-20-12(17)4-2/h3-4H,1-2,5-10H2,(H2,14,15,18)
InChIKeyHYXJTBZYGBMBEW-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.52
Rot. Bonds10

About 3-(3-prop-2-enoyloxypropylcarbamoylamino)propyl prop-2-enoate

3-(3-prop-2-enoyloxypropylcarbamoylamino)propyl prop-2-enoate (PubChem CID 15208797) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(3-prop-2-enoyloxypropylcarbamoylamino)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(3-prop-2-enoyloxypropylcarbamoylamino)propyl prop-2-enoate
PubChem CID15208797
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name3-(3-prop-2-enoyloxypropylcarbamoylamino)propyl prop-2-enoate
SMILESC=CC(=O)OCCCNC(=O)NCCCOC(=O)C=C
InChIInChI=1S/C13H20N2O5/c1-3-11(16)19-9-5-7-14-13(18)15-8-6-10-20-12(17)4-2/h3-4H,1-2,5-10H2,(H2,14,15,18)
InChIKeyHYXJTBZYGBMBEW-UHFFFAOYSA-N
XLogP0.52
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-prop-2-enoyloxypropylcarbamoylamino)propyl prop-2-enoate?
The IUPAC name of 3-(3-prop-2-enoyloxypropylcarbamoylamino)propyl prop-2-enoate (CID 15208797) is 3-(3-prop-2-enoyloxypropylcarbamoylamino)propyl prop-2-enoate.
What is the SMILES notation for 3-(3-prop-2-enoyloxypropylcarbamoylamino)propyl prop-2-enoate?
The canonical SMILES for 3-(3-prop-2-enoyloxypropylcarbamoylamino)propyl prop-2-enoate is C=CC(=O)OCCCNC(=O)NCCCOC(=O)C=C.
What is the InChIKey of 3-(3-prop-2-enoyloxypropylcarbamoylamino)propyl prop-2-enoate?
The InChIKey is HYXJTBZYGBMBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-3-11(16)19-9-5-7-14-13(18)15-8-6-10-20-12(17)4-2/h3-4H,1-2,5-10H2,(H2,14,15,18).
What are the key properties of 3-(3-prop-2-enoyloxypropylcarbamoylamino)propyl prop-2-enoate?
3-(3-prop-2-enoyloxypropylcarbamoylamino)propyl prop-2-enoate has a molecular weight of 284.31 g/mol, XLogP of 0.52, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-prop-2-enoyloxypropylcarbamoylamino)propyl prop-2-enoate is sourced from PubChem (CID 15208797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).