tetradecyl 3-(prop-2-enoxycarbonylamino)propanoate

C21H39NO4 — CID 91691302

IUPACtetradecyl 3-(prop-2-enoxycarbonylamino)propanoate
SMILESC=CCOC(=O)NCCC(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C21H39NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-25-20(23)16-17-22-21(24)26-18-4-2/h4H,2-3,5-19H2,1H3,(H,22,24)
InChIKeyGSWSKDQNNCXWKF-UHFFFAOYSA-N
MW369.55 g/mol
LogP5.53
Rot. Bonds18

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

tetradecyl 3-(prop-2-enoxycarbonylamino)propanoate (PubChem CID 91691302) has the molecular formula C21H39NO4 and a molecular weight of 369.55 g/mol. Its IUPAC name is tetradecyl 3-(prop-2-enoxycarbonylamino)propanoate.

Molecular Properties

Compound Nametetradecyl 3-(prop-2-enoxycarbonylamino)propanoate
PubChem CID91691302
Molecular FormulaC21H39NO4
Molecular Weight369.55 g/mol
Exact Mass369.29
IUPAC Nametetradecyl 3-(prop-2-enoxycarbonylamino)propanoate
SMILESC=CCOC(=O)NCCC(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C21H39NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-25-20(23)16-17-22-21(24)26-18-4-2/h4H,2-3,5-19H2,1H3,(H,22,24)
InChIKeyGSWSKDQNNCXWKF-UHFFFAOYSA-N
XLogP5.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.53
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 tetradecyl 3-(prop-2-enoxycarbonylamino)propanoate?
The IUPAC name of tetradecyl 3-(prop-2-enoxycarbonylamino)propanoate (CID 91691302) is tetradecyl 3-(prop-2-enoxycarbonylamino)propanoate.
What is the SMILES notation for tetradecyl 3-(prop-2-enoxycarbonylamino)propanoate?
The canonical SMILES for tetradecyl 3-(prop-2-enoxycarbonylamino)propanoate is C=CCOC(=O)NCCC(=O)OCCCCCCCCCCCCCC.
What is the InChIKey of tetradecyl 3-(prop-2-enoxycarbonylamino)propanoate?
The InChIKey is GSWSKDQNNCXWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-25-20(23)16-17-22-21(24)26-18-4-2/h4H,2-3,5-19H2,1H3,(H,22,24).
What are the key properties of tetradecyl 3-(prop-2-enoxycarbonylamino)propanoate?
tetradecyl 3-(prop-2-enoxycarbonylamino)propanoate has a molecular weight of 369.55 g/mol, XLogP of 5.53, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 3-(prop-2-enoxycarbonylamino)propanoate is sourced from PubChem (CID 91691302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).