[(E)-pentadec-10-enyl] 2-(prop-2-enoxycarbonylamino)acetate

C21H37NO4 — CID 91691244

IUPAC[(E)-pentadec-10-enyl] 2-(prop-2-enoxycarbonylamino)acetate
SMILESC=CCOC(=O)NCC(=O)OCCCCCCCCC/C=C/CCCC
InChIInChI=1S/C21H37NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-25-20(23)19-22-21(24)26-17-4-2/h4,7-8H,2-3,5-6,9-19H2,1H3,(H,22,24)/b8-7+
InChIKeyOMHMUPPRQNEGAH-BQYQJAHWSA-N
MW367.53 g/mol
LogP5.31
Rot. Bonds17

About [(E)-pentadec-10-enyl] 2-(prop-2-enoxycarbonylamino)acetate

[(E)-pentadec-10-enyl] 2-(prop-2-enoxycarbonylamino)acetate (PubChem CID 91691244) has the molecular formula C21H37NO4 and a molecular weight of 367.53 g/mol. Its IUPAC name is [(E)-pentadec-10-enyl] 2-(prop-2-enoxycarbonylamino)acetate.

Molecular Properties

Compound Name[(E)-pentadec-10-enyl] 2-(prop-2-enoxycarbonylamino)acetate
PubChem CID91691244
Molecular FormulaC21H37NO4
Molecular Weight367.53 g/mol
Exact Mass367.27
IUPAC Name[(E)-pentadec-10-enyl] 2-(prop-2-enoxycarbonylamino)acetate
SMILESC=CCOC(=O)NCC(=O)OCCCCCCCCC/C=C/CCCC
InChIInChI=1S/C21H37NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-25-20(23)19-22-21(24)26-17-4-2/h4,7-8H,2-3,5-6,9-19H2,1H3,(H,22,24)/b8-7+
InChIKeyOMHMUPPRQNEGAH-BQYQJAHWSA-N
XLogP5.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.31
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'}

Analyze [(E)-pentadec-10-enyl] 2-(prop-2-enoxycarbonylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-pentadec-10-enyl] 2-(prop-2-enoxycarbonylamino)acetate?
The IUPAC name of [(E)-pentadec-10-enyl] 2-(prop-2-enoxycarbonylamino)acetate (CID 91691244) is [(E)-pentadec-10-enyl] 2-(prop-2-enoxycarbonylamino)acetate.
What is the SMILES notation for [(E)-pentadec-10-enyl] 2-(prop-2-enoxycarbonylamino)acetate?
The canonical SMILES for [(E)-pentadec-10-enyl] 2-(prop-2-enoxycarbonylamino)acetate is C=CCOC(=O)NCC(=O)OCCCCCCCCC/C=C/CCCC.
What is the InChIKey of [(E)-pentadec-10-enyl] 2-(prop-2-enoxycarbonylamino)acetate?
The InChIKey is OMHMUPPRQNEGAH-BQYQJAHWSA-N. The full InChI is InChI=1S/C21H37NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-25-20(23)19-22-21(24)26-17-4-2/h4,7-8H,2-3,5-6,9-19H2,1H3,(H,22,24)/b8-7+.
What are the key properties of [(E)-pentadec-10-enyl] 2-(prop-2-enoxycarbonylamino)acetate?
[(E)-pentadec-10-enyl] 2-(prop-2-enoxycarbonylamino)acetate has a molecular weight of 367.53 g/mol, XLogP of 5.31, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pentadec-10-enyl] 2-(prop-2-enoxycarbonylamino)acetate is sourced from PubChem (CID 91691244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).