tetradecyl 3-(prop-2-enoylamino)propanoate

C20H37NO3 — CID 91712851

IUPACtetradecyl 3-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NCCC(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C20H37NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)16-17-21-19(22)4-2/h4H,2-3,5-18H2,1H3,(H,21,22)
InChIKeyXWOJQYCYIOEHDB-UHFFFAOYSA-N
MW339.52 g/mol
LogP4.92
Rot. Bonds17

About tetradecyl 3-(prop-2-enoylamino)propanoate

tetradecyl 3-(prop-2-enoylamino)propanoate (PubChem CID 91712851) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is tetradecyl 3-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Nametetradecyl 3-(prop-2-enoylamino)propanoate
PubChem CID91712851
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Nametetradecyl 3-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NCCC(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C20H37NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)16-17-21-19(22)4-2/h4H,2-3,5-18H2,1H3,(H,21,22)
InChIKeyXWOJQYCYIOEHDB-UHFFFAOYSA-N
XLogP4.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 tetradecyl 3-(prop-2-enoylamino)propanoate?
The IUPAC name of tetradecyl 3-(prop-2-enoylamino)propanoate (CID 91712851) is tetradecyl 3-(prop-2-enoylamino)propanoate.
What is the SMILES notation for tetradecyl 3-(prop-2-enoylamino)propanoate?
The canonical SMILES for tetradecyl 3-(prop-2-enoylamino)propanoate is C=CC(=O)NCCC(=O)OCCCCCCCCCCCCCC.
What is the InChIKey of tetradecyl 3-(prop-2-enoylamino)propanoate?
The InChIKey is XWOJQYCYIOEHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)16-17-21-19(22)4-2/h4H,2-3,5-18H2,1H3,(H,21,22).
What are the key properties of tetradecyl 3-(prop-2-enoylamino)propanoate?
tetradecyl 3-(prop-2-enoylamino)propanoate has a molecular weight of 339.52 g/mol, XLogP of 4.92, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 3-(prop-2-enoylamino)propanoate is sourced from PubChem (CID 91712851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).