1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate

C13H18N2O5 — CID 141038512

IUPAC1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)N(C(=O)/N=C/C)C(C)OC(=O)C=C
InChIInChI=1S/C13H18N2O5/c1-6-11(16)19-9(4)15(13(18)14-8-3)10(5)20-12(17)7-2/h6-10H,1-2H2,3-5H3/b14-8+
InChIKeySBAPRSQLULALEK-RIYZIHGNSA-N
MW282.30 g/mol
LogP1.65
Rot. Bonds6

About 1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate

1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate (PubChem CID 141038512) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate
PubChem CID141038512
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)N(C(=O)/N=C/C)C(C)OC(=O)C=C
InChIInChI=1S/C13H18N2O5/c1-6-11(16)19-9(4)15(13(18)14-8-3)10(5)20-12(17)7-2/h6-10H,1-2H2,3-5H3/b14-8+
InChIKeySBAPRSQLULALEK-RIYZIHGNSA-N
XLogP1.65
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate
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1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
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CID 57332053
1-(dimethylamino)prop-2-enyl prop-2-enoate
CID 87262615
N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate
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1-dimethylarsanylethyl prop-2-enoate
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(1-hydroxy-2-methylpropyl) prop-2-enoate
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1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea
CID 141047446

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate?
The IUPAC name of 1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate (CID 141038512) is 1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate.
What is the SMILES notation for 1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate?
The canonical SMILES for 1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate is C=CC(=O)OC(C)N(C(=O)/N=C/C)C(C)OC(=O)C=C.
What is the InChIKey of 1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate?
The InChIKey is SBAPRSQLULALEK-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-6-11(16)19-9(4)15(13(18)14-8-3)10(5)20-12(17)7-2/h6-10H,1-2H2,3-5H3/b14-8+.
What are the key properties of 1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate?
1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate has a molecular weight of 282.30 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate is sourced from PubChem (CID 141038512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).