tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate

C21H39NO4 — CID 91713161

IUPACtetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C21H39NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-25-20(23)19-22(3)21(24)26-17-5-2/h5H,2,4,6-19H2,1,3H3
InChIKeyFKXWOHTZOYWOIN-UHFFFAOYSA-N
MW369.55 g/mol
LogP5.49
Rot. Bonds17

About tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate

tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate (PubChem CID 91713161) has the molecular formula C21H39NO4 and a molecular weight of 369.55 g/mol. Its IUPAC name is tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate.

Molecular Properties

Compound Nametetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
PubChem CID91713161
Molecular FormulaC21H39NO4
Molecular Weight369.55 g/mol
Exact Mass369.29
IUPAC Nametetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C21H39NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-25-20(23)19-22(3)21(24)26-17-5-2/h5H,2,4,6-19H2,1,3H3
InChIKeyFKXWOHTZOYWOIN-UHFFFAOYSA-N
XLogP5.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
The IUPAC name of tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate (CID 91713161) is tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate.
What is the SMILES notation for tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
The canonical SMILES for tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate is C=CCOC(=O)N(C)CC(=O)OCCCCCCCCCCCCCC.
What is the InChIKey of tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
The InChIKey is FKXWOHTZOYWOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-25-20(23)19-22(3)21(24)26-17-5-2/h5H,2,4,6-19H2,1,3H3.
What are the key properties of tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate has a molecular weight of 369.55 g/mol, XLogP of 5.49, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate is sourced from PubChem (CID 91713161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).