hexyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate

C15H28N2O4 — CID 6421815

IUPAChexyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate
SMILESCCCCCCOC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H28N2O4/c1-2-3-4-5-11-21-15(19)14(18)16-7-6-8-17-9-12-20-13-10-17/h2-13H2,1H3,(H,16,18)
InChIKeyBQMRXEQYDXTMKM-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.95
Rot. Bonds9

About hexyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate

hexyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate (PubChem CID 6421815) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is hexyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate.

Molecular Properties

Compound Namehexyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate
PubChem CID6421815
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namehexyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate
SMILESCCCCCCOC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H28N2O4/c1-2-3-4-5-11-21-15(19)14(18)16-7-6-8-17-9-12-20-13-10-17/h2-13H2,1H3,(H,16,18)
InChIKeyBQMRXEQYDXTMKM-UHFFFAOYSA-N
XLogP0.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate?
The IUPAC name of hexyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate (CID 6421815) is hexyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate.
What is the SMILES notation for hexyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate?
The canonical SMILES for hexyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate is CCCCCCOC(=O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of hexyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate?
The InChIKey is BQMRXEQYDXTMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-2-3-4-5-11-21-15(19)14(18)16-7-6-8-17-9-12-20-13-10-17/h2-13H2,1H3,(H,16,18).
What are the key properties of hexyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate?
hexyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate has a molecular weight of 300.40 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate is sourced from PubChem (CID 6421815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).