propyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate

C19H34N2O5 — CID 91725602

IUPACpropyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate
SMILESC=CCOC(=O)NC(CCCC)C(=O)NC(CCCC)C(=O)OCCC
InChIInChI=1S/C19H34N2O5/c1-5-9-11-15(21-19(24)26-14-8-4)17(22)20-16(12-10-6-2)18(23)25-13-7-3/h8,15-16H,4-7,9-14H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyQCUYVVICQXBACH-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.09
Rot. Bonds14

About propyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate

propyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate (PubChem CID 91725602) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is propyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate.

Molecular Properties

Compound Namepropyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate
PubChem CID91725602
Molecular FormulaC19H34N2O5
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC Namepropyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate
SMILESC=CCOC(=O)NC(CCCC)C(=O)NC(CCCC)C(=O)OCCC
InChIInChI=1S/C19H34N2O5/c1-5-9-11-15(21-19(24)26-14-8-4)17(22)20-16(12-10-6-2)18(23)25-13-7-3/h8,15-16H,4-7,9-14H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyQCUYVVICQXBACH-UHFFFAOYSA-N
XLogP3.09
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate?
The IUPAC name of propyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate (CID 91725602) is propyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate.
What is the SMILES notation for propyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate?
The canonical SMILES for propyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate is C=CCOC(=O)NC(CCCC)C(=O)NC(CCCC)C(=O)OCCC.
What is the InChIKey of propyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate?
The InChIKey is QCUYVVICQXBACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O5/c1-5-9-11-15(21-19(24)26-14-8-4)17(22)20-16(12-10-6-2)18(23)25-13-7-3/h8,15-16H,4-7,9-14H2,1-3H3,(H,20,22)(H,21,24).
What are the key properties of propyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate?
propyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate has a molecular weight of 370.49 g/mol, XLogP of 3.09, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate is sourced from PubChem (CID 91725602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).