dodecyl 2-(prop-2-enoxycarbonylamino)propanoate

C19H35NO4 — CID 6422696

IUPACdodecyl 2-(prop-2-enoxycarbonylamino)propanoate
SMILESC=CCOC(=O)NC(C)C(=O)OCCCCCCCCCCCC
InChIInChI=1S/C19H35NO4/c1-4-6-7-8-9-10-11-12-13-14-16-23-18(21)17(3)20-19(22)24-15-5-2/h5,17H,2,4,6-16H2,1,3H3,(H,20,22)
InChIKeyNUYAMIIGNJZSTD-UHFFFAOYSA-N
MW341.49 g/mol
LogP4.75
Rot. Bonds15

About dodecyl 2-(prop-2-enoxycarbonylamino)propanoate

dodecyl 2-(prop-2-enoxycarbonylamino)propanoate (PubChem CID 6422696) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is dodecyl 2-(prop-2-enoxycarbonylamino)propanoate.

Molecular Properties

Compound Namedodecyl 2-(prop-2-enoxycarbonylamino)propanoate
PubChem CID6422696
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Namedodecyl 2-(prop-2-enoxycarbonylamino)propanoate
SMILESC=CCOC(=O)NC(C)C(=O)OCCCCCCCCCCCC
InChIInChI=1S/C19H35NO4/c1-4-6-7-8-9-10-11-12-13-14-16-23-18(21)17(3)20-19(22)24-15-5-2/h5,17H,2,4,6-16H2,1,3H3,(H,20,22)
InChIKeyNUYAMIIGNJZSTD-UHFFFAOYSA-N
XLogP4.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
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 dodecyl 2-(prop-2-enoxycarbonylamino)propanoate?
The IUPAC name of dodecyl 2-(prop-2-enoxycarbonylamino)propanoate (CID 6422696) is dodecyl 2-(prop-2-enoxycarbonylamino)propanoate.
What is the SMILES notation for dodecyl 2-(prop-2-enoxycarbonylamino)propanoate?
The canonical SMILES for dodecyl 2-(prop-2-enoxycarbonylamino)propanoate is C=CCOC(=O)NC(C)C(=O)OCCCCCCCCCCCC.
What is the InChIKey of dodecyl 2-(prop-2-enoxycarbonylamino)propanoate?
The InChIKey is NUYAMIIGNJZSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c1-4-6-7-8-9-10-11-12-13-14-16-23-18(21)17(3)20-19(22)24-15-5-2/h5,17H,2,4,6-16H2,1,3H3,(H,20,22).
What are the key properties of dodecyl 2-(prop-2-enoxycarbonylamino)propanoate?
dodecyl 2-(prop-2-enoxycarbonylamino)propanoate has a molecular weight of 341.49 g/mol, XLogP of 4.75, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-(prop-2-enoxycarbonylamino)propanoate is sourced from PubChem (CID 6422696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).