2-(2-nonanoyloxyethylamino)ethyl nonanoate

C22H43NO4 — CID 101278322

IUPAC2-(2-nonanoyloxyethylamino)ethyl nonanoate
SMILESCCCCCCCCC(=O)OCCNCCOC(=O)CCCCCCCC
InChIInChI=1S/C22H43NO4/c1-3-5-7-9-11-13-15-21(24)26-19-17-23-18-20-27-22(25)16-14-12-10-8-6-4-2/h23H,3-20H2,1-2H3
InChIKeyYATPUYWUQUYCOX-UHFFFAOYSA-N
MW385.59 g/mol
LogP5.16
Rot. Bonds20

About 2-(2-nonanoyloxyethylamino)ethyl nonanoate

2-(2-nonanoyloxyethylamino)ethyl nonanoate (PubChem CID 101278322) has the molecular formula C22H43NO4 and a molecular weight of 385.59 g/mol. Its IUPAC name is 2-(2-nonanoyloxyethylamino)ethyl nonanoate.

Molecular Properties

Compound Name2-(2-nonanoyloxyethylamino)ethyl nonanoate
PubChem CID101278322
Molecular FormulaC22H43NO4
Molecular Weight385.59 g/mol
Exact Mass385.32
IUPAC Name2-(2-nonanoyloxyethylamino)ethyl nonanoate
SMILESCCCCCCCCC(=O)OCCNCCOC(=O)CCCCCCCC
InChIInChI=1S/C22H43NO4/c1-3-5-7-9-11-13-15-21(24)26-19-17-23-18-20-27-22(25)16-14-12-10-8-6-4-2/h23H,3-20H2,1-2H3
InChIKeyYATPUYWUQUYCOX-UHFFFAOYSA-N
XLogP5.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.59
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)ethyl tetradecanoate
CID 22321443
2-(2-propoxyethylamino)ethyl dodecanoate
CID 118029095
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
methyl hydrogen sulfate;2-(2-octanoyloxyethylamino)ethyl octanoate
CID 173271894
2-(2-octanoyloxyethylamino)acetic acid
CID 155435320
2-[[(Z)-octadec-9-enyl]amino]ethyl (Z)-octadec-9-enoate
CID 169290665
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
nonyl 4-(nonylamino)butanoate
CID 142432007
3-(ethylamino)propyl octadecanoate
CID 157471077
octadecyl octanoate;octyl octanoate
CID 161346280
decyl decanoate
CID 158095494

Frequently Asked Questions

What is the IUPAC name of 2-(2-nonanoyloxyethylamino)ethyl nonanoate?
The IUPAC name of 2-(2-nonanoyloxyethylamino)ethyl nonanoate (CID 101278322) is 2-(2-nonanoyloxyethylamino)ethyl nonanoate.
What is the SMILES notation for 2-(2-nonanoyloxyethylamino)ethyl nonanoate?
The canonical SMILES for 2-(2-nonanoyloxyethylamino)ethyl nonanoate is CCCCCCCCC(=O)OCCNCCOC(=O)CCCCCCCC.
What is the InChIKey of 2-(2-nonanoyloxyethylamino)ethyl nonanoate?
The InChIKey is YATPUYWUQUYCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO4/c1-3-5-7-9-11-13-15-21(24)26-19-17-23-18-20-27-22(25)16-14-12-10-8-6-4-2/h23H,3-20H2,1-2H3.
What are the key properties of 2-(2-nonanoyloxyethylamino)ethyl nonanoate?
2-(2-nonanoyloxyethylamino)ethyl nonanoate has a molecular weight of 385.59 g/mol, XLogP of 5.16, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nonanoyloxyethylamino)ethyl nonanoate is sourced from PubChem (CID 101278322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).