hexyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate

C19H36N2O5 — CID 91718579

IUPAChexyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate
SMILESCCCCCCOC(=O)C(CCC)NC(=O)C(CCC)NC(=O)OCC
InChIInChI=1S/C19H36N2O5/c1-5-9-10-11-14-26-18(23)16(13-7-3)20-17(22)15(12-6-2)21-19(24)25-8-4/h15-16H,5-14H2,1-4H3,(H,20,22)(H,21,24)
InChIKeyMMEHDMBOSZQYHV-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.31
Rot. Bonds14

About hexyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate

hexyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate (PubChem CID 91718579) has the molecular formula C19H36N2O5 and a molecular weight of 372.51 g/mol. Its IUPAC name is hexyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate.

Molecular Properties

Compound Namehexyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate
PubChem CID91718579
Molecular FormulaC19H36N2O5
Molecular Weight372.51 g/mol
Exact Mass372.26
IUPAC Namehexyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate
SMILESCCCCCCOC(=O)C(CCC)NC(=O)C(CCC)NC(=O)OCC
InChIInChI=1S/C19H36N2O5/c1-5-9-10-11-14-26-18(23)16(13-7-3)20-17(22)15(12-6-2)21-19(24)25-8-4/h15-16H,5-14H2,1-4H3,(H,20,22)(H,21,24)
InChIKeyMMEHDMBOSZQYHV-UHFFFAOYSA-N
XLogP3.31
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate?
The IUPAC name of hexyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate (CID 91718579) is hexyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate.
What is the SMILES notation for hexyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate?
The canonical SMILES for hexyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate is CCCCCCOC(=O)C(CCC)NC(=O)C(CCC)NC(=O)OCC.
What is the InChIKey of hexyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate?
The InChIKey is MMEHDMBOSZQYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O5/c1-5-9-10-11-14-26-18(23)16(13-7-3)20-17(22)15(12-6-2)21-19(24)25-8-4/h15-16H,5-14H2,1-4H3,(H,20,22)(H,21,24).
What are the key properties of hexyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate?
hexyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate has a molecular weight of 372.51 g/mol, XLogP of 3.31, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate is sourced from PubChem (CID 91718579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).