nonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate

C22H43NO4 — CID 169189887

IUPACnonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate
SMILESCCCCCCCCCOC(=O)CCCCN(CCO)CCCCCC=O
InChIInChI=1S/C22H43NO4/c1-2-3-4-5-6-9-14-21-27-22(26)15-10-12-17-23(18-20-25)16-11-7-8-13-19-24/h19,25H,2-18,20-21H2,1H3
InChIKeyVLCCQFJQPWOLMZ-UHFFFAOYSA-N
MW385.59 g/mol
LogP4.50
Rot. Bonds21

About nonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate

nonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate (PubChem CID 169189887) has the molecular formula C22H43NO4 and a molecular weight of 385.59 g/mol. Its IUPAC name is nonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate.

Molecular Properties

Compound Namenonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate
PubChem CID169189887
Molecular FormulaC22H43NO4
Molecular Weight385.59 g/mol
Exact Mass385.32
IUPAC Namenonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate
SMILESCCCCCCCCCOC(=O)CCCCN(CCO)CCCCCC=O
InChIInChI=1S/C22H43NO4/c1-2-3-4-5-6-9-14-21-27-22(26)15-10-12-17-23(18-20-25)16-11-7-8-13-19-24/h19,25H,2-18,20-21H2,1H3
InChIKeyVLCCQFJQPWOLMZ-UHFFFAOYSA-N
XLogP4.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.59
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

nonyl 5-[3-hydroxypropyl(8-oxooctyl)amino]pentanoate
CID 171813855
octyl 9-[4-hydroxybutyl(8-oxooctyl)amino]nonanoate
CID 169229346
undecyl 6-[hexadecyl(2-hydroxyethyl)amino]hexanoate
CID 163381111
nonyl 8-[2-hydroxyethyl(propyl)amino]octanoate
CID 166923357
pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate
CID 129286302
10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decanoyloxy]decyl]amino]decyl 10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decanoate
CID 167224204
10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decoxy]-10-oxodecyl]amino]decanoate
CID 171586109
nonyl 8-[7-formyloxyheptyl(2-hydroxyethyl)amino]octanoate
CID 146475396
8-[2-hydroxyethyl(6-nonoxyhexyl)amino]octyl heptanoate
CID 176748587
2-hexyldecyl 8-[2-hydroxyethyl(8-oxooctyl)amino]octanoate
CID 176916994
8-[(6-decoxy-6-oxohexyl)-(2-hydroxyethyl)amino]octanoic acid
CID 175221133
6-[(6-decoxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoic acid
CID 175430453

Frequently Asked Questions

What is the IUPAC name of nonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate?
The IUPAC name of nonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate (CID 169189887) is nonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate.
What is the SMILES notation for nonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate?
The canonical SMILES for nonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate is CCCCCCCCCOC(=O)CCCCN(CCO)CCCCCC=O.
What is the InChIKey of nonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate?
The InChIKey is VLCCQFJQPWOLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO4/c1-2-3-4-5-6-9-14-21-27-22(26)15-10-12-17-23(18-20-25)16-11-7-8-13-19-24/h19,25H,2-18,20-21H2,1H3.
What are the key properties of nonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate?
nonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate has a molecular weight of 385.59 g/mol, XLogP of 4.50, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate is sourced from PubChem (CID 169189887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).