1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid

C20H43NO5 — CID 87531971

IUPAC1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid
SMILESCC(O)N(C(C)O)C(C)O.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-4(8)7(5(2)9)6(3)10/h2-13H2,1H3,(H,15,16);4-6,8-10H,1-3H3
InChIKeyXYSYDDZMHDUKGZ-UHFFFAOYSA-N
MW377.57 g/mol
LogP4.08
Rot. Bonds15

About 1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid

1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid (PubChem CID 87531971) has the molecular formula C20H43NO5 and a molecular weight of 377.57 g/mol. Its IUPAC name is 1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid.

Molecular Properties

Compound Name1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid
PubChem CID87531971
Molecular FormulaC20H43NO5
Molecular Weight377.57 g/mol
Exact Mass377.31
IUPAC Name1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid
SMILESCC(O)N(C(C)O)C(C)O.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-4(8)7(5(2)9)6(3)10/h2-13H2,1H3,(H,15,16);4-6,8-10H,1-3H3
InChIKeyXYSYDDZMHDUKGZ-UHFFFAOYSA-N
XLogP4.08
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid
CID 173189081
1-[bis(1-hydroxyethyl)amino]ethanol;decanedioic acid
CID 87904285
1-[bis(1-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoic acid
CID 87844912
decanoic acid;1-(dimethylamino)ethanol
CID 173031587
bis(dodecanoic acid);bis(propan-2-ol);zirconium
CID 158995387
butane-2,3-diol;octanoic acid
CID 174697206
CID 57488644
CID 57488644
octadecanoic acid;propan-2-ol;titanium;dihydroxide
CID 23104810
docosanoic acid;1-sulfanylethanol
CID 159479410
1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid
CID 87532133
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075

Frequently Asked Questions

What is the IUPAC name of 1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid?
The IUPAC name of 1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid (CID 87531971) is 1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid.
What is the SMILES notation for 1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid?
The canonical SMILES for 1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid is CC(O)N(C(C)O)C(C)O.CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid?
The InChIKey is XYSYDDZMHDUKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-4(8)7(5(2)9)6(3)10/h2-13H2,1H3,(H,15,16);4-6,8-10H,1-3H3.
What are the key properties of 1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid?
1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid has a molecular weight of 377.57 g/mol, XLogP of 4.08, 15 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid is sourced from PubChem (CID 87531971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).