tetradecyl 2-(ethoxycarbonylamino)propanoate

C20H39NO4 — CID 6422317

IUPACtetradecyl 2-(ethoxycarbonylamino)propanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)OCC
InChIInChI=1S/C20H39NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-25-19(22)18(3)21-20(23)24-5-2/h18H,4-17H2,1-3H3,(H,21,23)
InChIKeyBHAAAYBCUSJXMR-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.37
Rot. Bonds16

About tetradecyl 2-(ethoxycarbonylamino)propanoate

tetradecyl 2-(ethoxycarbonylamino)propanoate (PubChem CID 6422317) has the molecular formula C20H39NO4 and a molecular weight of 357.54 g/mol. Its IUPAC name is tetradecyl 2-(ethoxycarbonylamino)propanoate.

Molecular Properties

Compound Nametetradecyl 2-(ethoxycarbonylamino)propanoate
PubChem CID6422317
Molecular FormulaC20H39NO4
Molecular Weight357.54 g/mol
Exact Mass357.29
IUPAC Nametetradecyl 2-(ethoxycarbonylamino)propanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)OCC
InChIInChI=1S/C20H39NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-25-19(22)18(3)21-20(23)24-5-2/h18H,4-17H2,1-3H3,(H,21,23)
InChIKeyBHAAAYBCUSJXMR-UHFFFAOYSA-N
XLogP5.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-(ethoxycarbonylamino)propanoate?
The IUPAC name of tetradecyl 2-(ethoxycarbonylamino)propanoate (CID 6422317) is tetradecyl 2-(ethoxycarbonylamino)propanoate.
What is the SMILES notation for tetradecyl 2-(ethoxycarbonylamino)propanoate?
The canonical SMILES for tetradecyl 2-(ethoxycarbonylamino)propanoate is CCCCCCCCCCCCCCOC(=O)C(C)NC(=O)OCC.
What is the InChIKey of tetradecyl 2-(ethoxycarbonylamino)propanoate?
The InChIKey is BHAAAYBCUSJXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-25-19(22)18(3)21-20(23)24-5-2/h18H,4-17H2,1-3H3,(H,21,23).
What are the key properties of tetradecyl 2-(ethoxycarbonylamino)propanoate?
tetradecyl 2-(ethoxycarbonylamino)propanoate has a molecular weight of 357.54 g/mol, XLogP of 5.37, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-(ethoxycarbonylamino)propanoate is sourced from PubChem (CID 6422317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).