1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid

C23H48N2O6 — CID 170168150

IUPAC1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid
SMILESCC(O)N(C(C)O)C(C)O.CCCCCCCCCCCCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C17H33NO3.C6H15NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18(2)15-17(20)21;1-4(8)7(5(2)9)6(3)10/h3-15H2,1-2H3,(H,20,21);4-6,8-10H,1-3H3
InChIKeyZTHHHFUJQPQOHM-UHFFFAOYSA-N
MW448.65 g/mol
LogP3.53
Rot. Bonds17

About 1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid

1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid (PubChem CID 170168150) has the molecular formula C23H48N2O6 and a molecular weight of 448.65 g/mol. Its IUPAC name is 1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid.

Molecular Properties

Compound Name1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid
PubChem CID170168150
Molecular FormulaC23H48N2O6
Molecular Weight448.65 g/mol
Exact Mass448.35
IUPAC Name1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid
SMILESCC(O)N(C(C)O)C(C)O.CCCCCCCCCCCCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C17H33NO3.C6H15NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18(2)15-17(20)21;1-4(8)7(5(2)9)6(3)10/h3-15H2,1-2H3,(H,20,21);4-6,8-10H,1-3H3
InChIKeyZTHHHFUJQPQOHM-UHFFFAOYSA-N
XLogP3.53
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.65
LogP ≤ 53.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride
CID 174463731
1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid
CID 87531971
2-[[(E)-hexadec-8-enoyl]-methylamino]acetic acid
CID 20606581
2-[[(Z)-docos-13-enoyl]-methylamino]acetic acid
CID 109374190
2-[methyl(octadec-11-enoyl)amino]acetic acid
CID 175197754
2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid
CID 175329746
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;zinc
CID 158929177
sodium 3-[methyl(tetradecanoyl)amino]propanoic acid
CID 22614079
CID 88685642
CID 88685642
2-(methylamino)acetic acid;2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid
CID 88510322
decanoic acid;1-(dimethylamino)ethanol
CID 173031587

Frequently Asked Questions

What is the IUPAC name of 1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid?
The IUPAC name of 1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid (CID 170168150) is 1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid.
What is the SMILES notation for 1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid?
The canonical SMILES for 1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid is CC(O)N(C(C)O)C(C)O.CCCCCCCCCCCCCC(=O)N(C)CC(=O)O.
What is the InChIKey of 1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid?
The InChIKey is ZTHHHFUJQPQOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3.C6H15NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18(2)15-17(20)21;1-4(8)7(5(2)9)6(3)10/h3-15H2,1-2H3,(H,20,21);4-6,8-10H,1-3H3.
What are the key properties of 1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid?
1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid has a molecular weight of 448.65 g/mol, XLogP of 3.53, 17 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid is sourced from PubChem (CID 170168150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).