1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol

C20H43NO3 — CID 19694651

IUPAC1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol
SMILESCCCCCCCCCCCCCCOCC(O)CN(C)CCO
InChIInChI=1S/C20H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-24-19-20(23)18-21(2)15-16-22/h20,22-23H,3-19H2,1-2H3
InChIKeyLXPBAHHPPWTFIN-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.99
Rot. Bonds19

About 1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol

1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol (PubChem CID 19694651) has the molecular formula C20H43NO3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol
PubChem CID19694651
Molecular FormulaC20H43NO3
Molecular Weight345.57 g/mol
Exact Mass345.32
IUPAC Name1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol
SMILESCCCCCCCCCCCCCCOCC(O)CN(C)CCO
InChIInChI=1S/C20H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-24-19-20(23)18-21(2)15-16-22/h20,22-23H,3-19H2,1-2H3
InChIKeyLXPBAHHPPWTFIN-UHFFFAOYSA-N
XLogP3.99
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 63934385
1-(dimethylamino)-3-octadecoxypropan-2-ol;hydrobromide
CID 87356589
1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
CID 165348602
4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol
CID 20977890
1-[6-[bis(3-dodecoxy-2-hydroxypropyl)amino]hexyl-(3-dodecoxy-2-hydroxypropyl)amino]-3-dodecoxypropan-2-ol
CID 170444415
[1-dodecoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-yl] pentanoate
CID 170031005
1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol
CID 106991621
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
3-heptoxypropane-1,2-diol;hydrate
CID 22908564
1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 107263779
1-icosoxybutan-2-ol
CID 58176389
(2S)-3-pentoxypropane-1,2-diol
CID 56628191

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol?
The IUPAC name of 1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol (CID 19694651) is 1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol.
What is the SMILES notation for 1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol?
The canonical SMILES for 1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol is CCCCCCCCCCCCCCOCC(O)CN(C)CCO.
What is the InChIKey of 1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol?
The InChIKey is LXPBAHHPPWTFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-24-19-20(23)18-21(2)15-16-22/h20,22-23H,3-19H2,1-2H3.
What are the key properties of 1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol?
1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol has a molecular weight of 345.57 g/mol, XLogP of 3.99, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol is sourced from PubChem (CID 19694651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).