[(E)-tetradec-11-enyl] 2-(prop-2-enoxycarbonylamino)acetate

C20H35NO4 — CID 91691260

IUPAC[(E)-tetradec-11-enyl] 2-(prop-2-enoxycarbonylamino)acetate
SMILESC=CCOC(=O)NCC(=O)OCCCCCCCCCC/C=C/CC
InChIInChI=1S/C20H35NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-24-19(22)18-21-20(23)25-16-4-2/h4-6H,2-3,7-18H2,1H3,(H,21,23)/b6-5+
InChIKeyMNOVGSKECAKYNE-AATRIKPKSA-N
MW353.50 g/mol
LogP4.92
Rot. Bonds16

About [(E)-tetradec-11-enyl] 2-(prop-2-enoxycarbonylamino)acetate

[(E)-tetradec-11-enyl] 2-(prop-2-enoxycarbonylamino)acetate (PubChem CID 91691260) has the molecular formula C20H35NO4 and a molecular weight of 353.50 g/mol. Its IUPAC name is [(E)-tetradec-11-enyl] 2-(prop-2-enoxycarbonylamino)acetate.

Molecular Properties

Compound Name[(E)-tetradec-11-enyl] 2-(prop-2-enoxycarbonylamino)acetate
PubChem CID91691260
Molecular FormulaC20H35NO4
Molecular Weight353.50 g/mol
Exact Mass353.26
IUPAC Name[(E)-tetradec-11-enyl] 2-(prop-2-enoxycarbonylamino)acetate
SMILESC=CCOC(=O)NCC(=O)OCCCCCCCCCC/C=C/CC
InChIInChI=1S/C20H35NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-24-19(22)18-21-20(23)25-16-4-2/h4-6H,2-3,7-18H2,1H3,(H,21,23)/b6-5+
InChIKeyMNOVGSKECAKYNE-AATRIKPKSA-N
XLogP4.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 54.92
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 [(E)-tetradec-11-enyl] 2-(prop-2-enoxycarbonylamino)acetate?
The IUPAC name of [(E)-tetradec-11-enyl] 2-(prop-2-enoxycarbonylamino)acetate (CID 91691260) is [(E)-tetradec-11-enyl] 2-(prop-2-enoxycarbonylamino)acetate.
What is the SMILES notation for [(E)-tetradec-11-enyl] 2-(prop-2-enoxycarbonylamino)acetate?
The canonical SMILES for [(E)-tetradec-11-enyl] 2-(prop-2-enoxycarbonylamino)acetate is C=CCOC(=O)NCC(=O)OCCCCCCCCCC/C=C/CC.
What is the InChIKey of [(E)-tetradec-11-enyl] 2-(prop-2-enoxycarbonylamino)acetate?
The InChIKey is MNOVGSKECAKYNE-AATRIKPKSA-N. The full InChI is InChI=1S/C20H35NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-24-19(22)18-21-20(23)25-16-4-2/h4-6H,2-3,7-18H2,1H3,(H,21,23)/b6-5+.
What are the key properties of [(E)-tetradec-11-enyl] 2-(prop-2-enoxycarbonylamino)acetate?
[(E)-tetradec-11-enyl] 2-(prop-2-enoxycarbonylamino)acetate has a molecular weight of 353.50 g/mol, XLogP of 4.92, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-tetradec-11-enyl] 2-(prop-2-enoxycarbonylamino)acetate is sourced from PubChem (CID 91691260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).