4-prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate

C14H21NO5 — CID 87326522

IUPAC4-prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)(C)C(=O)OCCCCOC(=O)C=C
InChIInChI=1S/C14H21NO5/c1-5-11(16)15-14(3,4)13(18)20-10-8-7-9-19-12(17)6-2/h5-6H,1-2,7-10H2,3-4H3,(H,15,16)
InChIKeyMEIOVSFWUORJGI-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.12
Rot. Bonds9

About 4-prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate

4-prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate (PubChem CID 87326522) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Name4-prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate
PubChem CID87326522
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name4-prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)(C)C(=O)OCCCCOC(=O)C=C
InChIInChI=1S/C14H21NO5/c1-5-11(16)15-14(3,4)13(18)20-10-8-7-9-19-12(17)6-2/h5-6H,1-2,7-10H2,3-4H3,(H,15,16)
InChIKeyMEIOVSFWUORJGI-UHFFFAOYSA-N
XLogP1.12
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
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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Related Compounds

potassium;N-tert-butylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoate
CID 44147810
Ethyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 12477498
4-Ethenoxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 22033774
Prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 22033780
Butyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 58645004
[3-Acetyloxy-2-(acetyloxymethyl)-2-(prop-2-enoylamino)propyl] acetate
CID 59012783
[2-Ethyl-2-(prop-2-enoylamino)butyl] prop-2-enoate
CID 60048016
Prop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate
CID 87243067
(2-Acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 87427721
N-tert-butylprop-2-enamide;butyl prop-2-enoate
CID 87957377
Butyl prop-2-enoate;2-cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 88702788
[2-Methyl-2-(prop-2-enoylamino)propyl] prop-2-enoate
CID 118885877

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate?
The IUPAC name of 4-prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate (CID 87326522) is 4-prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate.
What is the SMILES notation for 4-prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate?
The canonical SMILES for 4-prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate is C=CC(=O)NC(C)(C)C(=O)OCCCCOC(=O)C=C.
What is the InChIKey of 4-prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate?
The InChIKey is MEIOVSFWUORJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-5-11(16)15-14(3,4)13(18)20-10-8-7-9-19-12(17)6-2/h5-6H,1-2,7-10H2,3-4H3,(H,15,16).
What are the key properties of 4-prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate?
4-prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate has a molecular weight of 283.32 g/mol, XLogP of 1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate is sourced from PubChem (CID 87326522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).