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

C19H32N2O5 — CID 91725591

IUPACprop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate
SMILESC=CCOC(=O)NC(CCCC)C(=O)NC(CCCC)C(=O)OCC=C
InChIInChI=1S/C19H32N2O5/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/h7-8,15-16H,3-6,9-14H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyDZKUWXBDQUWBAY-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.86
Rot. Bonds14

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

prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate (PubChem CID 91725591) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate
PubChem CID91725591
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Nameprop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate
SMILESC=CCOC(=O)NC(CCCC)C(=O)NC(CCCC)C(=O)OCC=C
InChIInChI=1S/C19H32N2O5/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/h7-8,15-16H,3-6,9-14H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyDZKUWXBDQUWBAY-UHFFFAOYSA-N
XLogP2.86
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.86
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 prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate?
The IUPAC name of prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate (CID 91725591) is prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate.
What is the SMILES notation for prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate?
The canonical SMILES for prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate is C=CCOC(=O)NC(CCCC)C(=O)NC(CCCC)C(=O)OCC=C.
What is the InChIKey of prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate?
The InChIKey is DZKUWXBDQUWBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/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/h7-8,15-16H,3-6,9-14H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate?
prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate has a molecular weight of 368.47 g/mol, XLogP of 2.86, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)hexanoylamino]hexanoate is sourced from PubChem (CID 91725591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).