dodecyl 2-(ethoxycarbonylamino)propanoate

C18H35NO4 — CID 6422315

IUPACdodecyl 2-(ethoxycarbonylamino)propanoate
SMILESCCCCCCCCCCCCOC(=O)C(C)NC(=O)OCC
InChIInChI=1S/C18H35NO4/c1-4-6-7-8-9-10-11-12-13-14-15-23-17(20)16(3)19-18(21)22-5-2/h16H,4-15H2,1-3H3,(H,19,21)
InChIKeyCTDLQAXIBZVKEG-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.59
Rot. Bonds14

About dodecyl 2-(ethoxycarbonylamino)propanoate

dodecyl 2-(ethoxycarbonylamino)propanoate (PubChem CID 6422315) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is dodecyl 2-(ethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namedodecyl 2-(ethoxycarbonylamino)propanoate
PubChem CID6422315
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Namedodecyl 2-(ethoxycarbonylamino)propanoate
SMILESCCCCCCCCCCCCOC(=O)C(C)NC(=O)OCC
InChIInChI=1S/C18H35NO4/c1-4-6-7-8-9-10-11-12-13-14-15-23-17(20)16(3)19-18(21)22-5-2/h16H,4-15H2,1-3H3,(H,19,21)
InChIKeyCTDLQAXIBZVKEG-UHFFFAOYSA-N
XLogP4.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.59
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 dodecyl 2-(ethoxycarbonylamino)propanoate?
The IUPAC name of dodecyl 2-(ethoxycarbonylamino)propanoate (CID 6422315) is dodecyl 2-(ethoxycarbonylamino)propanoate.
What is the SMILES notation for dodecyl 2-(ethoxycarbonylamino)propanoate?
The canonical SMILES for dodecyl 2-(ethoxycarbonylamino)propanoate is CCCCCCCCCCCCOC(=O)C(C)NC(=O)OCC.
What is the InChIKey of dodecyl 2-(ethoxycarbonylamino)propanoate?
The InChIKey is CTDLQAXIBZVKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-4-6-7-8-9-10-11-12-13-14-15-23-17(20)16(3)19-18(21)22-5-2/h16H,4-15H2,1-3H3,(H,19,21).
What are the key properties of dodecyl 2-(ethoxycarbonylamino)propanoate?
dodecyl 2-(ethoxycarbonylamino)propanoate has a molecular weight of 329.48 g/mol, XLogP of 4.59, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-(ethoxycarbonylamino)propanoate is sourced from PubChem (CID 6422315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).