2-(2-propoxyethylamino)ethyl dodecanoate

C19H39NO3 — CID 118029095

IUPAC2-(2-propoxyethylamino)ethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCNCCOCCC
InChIInChI=1S/C19H39NO3/c1-3-5-6-7-8-9-10-11-12-13-19(21)23-18-15-20-14-17-22-16-4-2/h20H,3-18H2,1-2H3
InChIKeyXYKPKXRRLYHRJZ-UHFFFAOYSA-N
MW329.53 g/mol
LogP4.47
Rot. Bonds18

About 2-(2-propoxyethylamino)ethyl dodecanoate

2-(2-propoxyethylamino)ethyl dodecanoate (PubChem CID 118029095) has the molecular formula C19H39NO3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 2-(2-propoxyethylamino)ethyl dodecanoate.

Molecular Properties

Compound Name2-(2-propoxyethylamino)ethyl dodecanoate
PubChem CID118029095
Molecular FormulaC19H39NO3
Molecular Weight329.53 g/mol
Exact Mass329.29
IUPAC Name2-(2-propoxyethylamino)ethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCNCCOCCC
InChIInChI=1S/C19H39NO3/c1-3-5-6-7-8-9-10-11-12-13-19(21)23-18-15-20-14-17-22-16-4-2/h20H,3-18H2,1-2H3
InChIKeyXYKPKXRRLYHRJZ-UHFFFAOYSA-N
XLogP4.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-nonanoyloxyethylamino)ethyl nonanoate
CID 101278322
2-(ethylamino)ethyl tetradecanoate
CID 22321443
2-[2-(propylamino)ethoxy]ethyl pentanoate
CID 82532625
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
methyl hydrogen sulfate;2-(2-octanoyloxyethylamino)ethyl octanoate
CID 173271894
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787
2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
CID 54361642
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
CID 102240292
2-(2-octanoyloxyethylamino)acetic acid
CID 155435320
propyl docosanoate
CID 3015299
2-[[(Z)-octadec-9-enyl]amino]ethyl (Z)-octadec-9-enoate
CID 169290665

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyethylamino)ethyl dodecanoate?
The IUPAC name of 2-(2-propoxyethylamino)ethyl dodecanoate (CID 118029095) is 2-(2-propoxyethylamino)ethyl dodecanoate.
What is the SMILES notation for 2-(2-propoxyethylamino)ethyl dodecanoate?
The canonical SMILES for 2-(2-propoxyethylamino)ethyl dodecanoate is CCCCCCCCCCCC(=O)OCCNCCOCCC.
What is the InChIKey of 2-(2-propoxyethylamino)ethyl dodecanoate?
The InChIKey is XYKPKXRRLYHRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO3/c1-3-5-6-7-8-9-10-11-12-13-19(21)23-18-15-20-14-17-22-16-4-2/h20H,3-18H2,1-2H3.
What are the key properties of 2-(2-propoxyethylamino)ethyl dodecanoate?
2-(2-propoxyethylamino)ethyl dodecanoate has a molecular weight of 329.53 g/mol, XLogP of 4.47, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyethylamino)ethyl dodecanoate is sourced from PubChem (CID 118029095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).