dodecyl 2-oxo-2-(prop-2-enylamino)acetate

C17H31NO3 — CID 6421347

IUPACdodecyl 2-oxo-2-(prop-2-enylamino)acetate
SMILESC=CCNC(=O)C(=O)OCCCCCCCCCCCC
InChIInChI=1S/C17H31NO3/c1-3-5-6-7-8-9-10-11-12-13-15-21-17(20)16(19)18-14-4-2/h4H,2-3,5-15H2,1H3,(H,18,19)
InChIKeyOFZIWNVDRNCJMT-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.75
Rot. Bonds13

About dodecyl 2-oxo-2-(prop-2-enylamino)acetate

dodecyl 2-oxo-2-(prop-2-enylamino)acetate (PubChem CID 6421347) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is dodecyl 2-oxo-2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Namedodecyl 2-oxo-2-(prop-2-enylamino)acetate
PubChem CID6421347
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Namedodecyl 2-oxo-2-(prop-2-enylamino)acetate
SMILESC=CCNC(=O)C(=O)OCCCCCCCCCCCC
InChIInChI=1S/C17H31NO3/c1-3-5-6-7-8-9-10-11-12-13-15-21-17(20)16(19)18-14-4-2/h4H,2-3,5-15H2,1H3,(H,18,19)
InChIKeyOFZIWNVDRNCJMT-UHFFFAOYSA-N
XLogP3.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dodecyl 2-oxo-2-(prop-2-enylamino)acetate?
The IUPAC name of dodecyl 2-oxo-2-(prop-2-enylamino)acetate (CID 6421347) is dodecyl 2-oxo-2-(prop-2-enylamino)acetate.
What is the SMILES notation for dodecyl 2-oxo-2-(prop-2-enylamino)acetate?
The canonical SMILES for dodecyl 2-oxo-2-(prop-2-enylamino)acetate is C=CCNC(=O)C(=O)OCCCCCCCCCCCC.
What is the InChIKey of dodecyl 2-oxo-2-(prop-2-enylamino)acetate?
The InChIKey is OFZIWNVDRNCJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-3-5-6-7-8-9-10-11-12-13-15-21-17(20)16(19)18-14-4-2/h4H,2-3,5-15H2,1H3,(H,18,19).
What are the key properties of dodecyl 2-oxo-2-(prop-2-enylamino)acetate?
dodecyl 2-oxo-2-(prop-2-enylamino)acetate has a molecular weight of 297.44 g/mol, XLogP of 3.75, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-oxo-2-(prop-2-enylamino)acetate is sourced from PubChem (CID 6421347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).