N-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide

C21H44N2O4 — CID 155083884

IUPACN-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCN(CCO)CC(O)CO
InChIInChI=1S/C21H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(27)22-14-15-23(16-17-24)18-20(26)19-25/h20,24-26H,2-19H2,1H3,(H,22,27)
InChIKeyGZIALEZVSKZZQE-UHFFFAOYSA-N
MW388.59 g/mol
LogP2.45
Rot. Bonds20

About N-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide

N-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide (PubChem CID 155083884) has the molecular formula C21H44N2O4 and a molecular weight of 388.59 g/mol. Its IUPAC name is N-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide.

Molecular Properties

Compound NameN-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide
PubChem CID155083884
Molecular FormulaC21H44N2O4
Molecular Weight388.59 g/mol
Exact Mass388.33
IUPAC NameN-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCN(CCO)CC(O)CO
InChIInChI=1S/C21H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(27)22-14-15-23(16-17-24)18-20(26)19-25/h20,24-26H,2-19H2,1H3,(H,22,27)
InChIKeyGZIALEZVSKZZQE-UHFFFAOYSA-N
XLogP2.45
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.59
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[bis(2-hydroxyethyl)amino]ethyl]henicosanamide
CID 102116577
N-[3-[3-decoxypropyl(2,3-dihydroxypropyl)amino]propyl]octadecanamide
CID 155083895
(2R)-2-hydroxy-3-[2-hydroxyethyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]amino]propane-1-sulfonic acid
CID 98048676
sodium 2-hydroxy-3-[2-hydroxyethyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]amino]propane-1-sulfonate
CID 23668643
sodium 2-hydroxy-3-[2-hydroxyethyl-[2-(octadec-9-enoylamino)ethyl]amino]propane-1-sulfonate
CID 53432490
sodium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
CID 22359060
azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
CID 23173744
(2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 98095005
sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride
CID 173090653
(E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide
CID 6437128
sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate
CID 23668680
sodium 2-[2-hydroxyethyl-[2-(undecanoylamino)ethyl]amino]acetate
CID 141154076

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide?
The IUPAC name of N-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide (CID 155083884) is N-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide.
What is the SMILES notation for N-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide?
The canonical SMILES for N-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCCN(CCO)CC(O)CO.
What is the InChIKey of N-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide?
The InChIKey is GZIALEZVSKZZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(27)22-14-15-23(16-17-24)18-20(26)19-25/h20,24-26H,2-19H2,1H3,(H,22,27).
What are the key properties of N-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide?
N-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide has a molecular weight of 388.59 g/mol, XLogP of 2.45, 20 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide is sourced from PubChem (CID 155083884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).