2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate

C17H34NO4- — CID 163953106

IUPAC2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate
SMILESCCCCCCCC(O)CCC(=O)OCCN([O-])CCCC
InChIInChI=1S/C17H34NO4/c1-3-5-7-8-9-10-16(19)11-12-17(20)22-15-14-18(21)13-6-4-2/h16,19H,3-15H2,1-2H3/q-1
InChIKeyQIVJKGOFKMNIPL-UHFFFAOYSA-N
MW316.46 g/mol
LogP3.63
Rot. Bonds15

About 2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate

2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate (PubChem CID 163953106) has the molecular formula C17H34NO4- and a molecular weight of 316.46 g/mol. Its IUPAC name is 2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate.

Molecular Properties

Compound Name2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate
PubChem CID163953106
Molecular FormulaC17H34NO4-
Molecular Weight316.46 g/mol
Exact Mass316.25
IUPAC Name2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate
SMILESCCCCCCCC(O)CCC(=O)OCCN([O-])CCCC
InChIInChI=1S/C17H34NO4/c1-3-5-7-8-9-10-16(19)11-12-17(20)22-15-14-18(21)13-6-4-2/h16,19H,3-15H2,1-2H3/q-1
InChIKeyQIVJKGOFKMNIPL-UHFFFAOYSA-N
XLogP3.63
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(dibutylamino)ethyl 4-hydroxyundecanoate
CID 153313038
6-(10-hydroxyoctadecanoyloxy)hexyl 10-hydroxyoctadecanoate
CID 87579324
[(12R)-12-hydroxyoctadecyl] docosanoate
CID 98048529
dotriacontyl 12-hydroxyoctadecanoate
CID 139650763
12-hydroxyoctadecyl octadecanoate
CID 87534486
octadecyl 13-hydroxyoctadecanoate
CID 139650754
octahexacontyl 12-hydroxyoctadecanoate
CID 177467118
3-hydroxyheptyl octanoate
CID 54307243
methyl 4-hydroxyoctadecanoate
CID 559005
6-(12-hydroxyoctadecanoyloxy)hexyl 12-methyloctadecanoate
CID 118488271
ethyl 5-hydroxyhexadecanoate
CID 171612820
2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate
CID 166706766

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate?
The IUPAC name of 2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate (CID 163953106) is 2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate.
What is the SMILES notation for 2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate?
The canonical SMILES for 2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate is CCCCCCCC(O)CCC(=O)OCCN([O-])CCCC.
What is the InChIKey of 2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate?
The InChIKey is QIVJKGOFKMNIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34NO4/c1-3-5-7-8-9-10-16(19)11-12-17(20)22-15-14-18(21)13-6-4-2/h16,19H,3-15H2,1-2H3/q-1.
What are the key properties of 2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate?
2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate has a molecular weight of 316.46 g/mol, XLogP of 3.63, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate is sourced from PubChem (CID 163953106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).