N-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide

C24H50N2O5 — CID 87068786

IUPACN-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(C)N(OCCO)OCCO
InChIInChI=1S/C24H50N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(29)25-23(2)26(30-21-19-27)31-22-20-28/h23,27-28H,3-22H2,1-2H3,(H,25,29)
InChIKeyDLBJFDJTOJHZNZ-UHFFFAOYSA-N
MW446.67 g/mol
LogP4.86
Rot. Bonds24

About N-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide

N-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide (PubChem CID 87068786) has the molecular formula C24H50N2O5 and a molecular weight of 446.67 g/mol. Its IUPAC name is N-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide.

Molecular Properties

Compound NameN-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide
PubChem CID87068786
Molecular FormulaC24H50N2O5
Molecular Weight446.67 g/mol
Exact Mass446.37
IUPAC NameN-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(C)N(OCCO)OCCO
InChIInChI=1S/C24H50N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(29)25-23(2)26(30-21-19-27)31-22-20-28/h23,27-28H,3-22H2,1-2H3,(H,25,29)
InChIKeyDLBJFDJTOJHZNZ-UHFFFAOYSA-N
XLogP4.86
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.67
LogP ≤ 54.86
H-Bond Donors ≤ 53
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide
CID 87487925
N-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide
CID 175605896
N-[1-(diethylamino)ethyl]dodecanamide
CID 23447206
N-(1,3-dihydroxypropyl)heptanamide
CID 130176524
N-[1-[ethyl(propyl)amino]ethyl]icosanamide
CID 24759517
N-[1-[ethyl(propyl)amino]ethyl]octadecanamide
CID 87289347
(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
20-hydroxyicosyl (2S)-2-(dodecanoylamino)propanoate
CID 175557288
N-pentan-2-ylundecanamide
CID 173258559
N-[1-(2-hydroxyethylamino)ethyl]octadecanamide
CID 22287972
(2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid
CID 57494721

Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide?
The IUPAC name of N-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide (CID 87068786) is N-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide.
What is the SMILES notation for N-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide?
The canonical SMILES for N-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC(C)N(OCCO)OCCO.
What is the InChIKey of N-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide?
The InChIKey is DLBJFDJTOJHZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(29)25-23(2)26(30-21-19-27)31-22-20-28/h23,27-28H,3-22H2,1-2H3,(H,25,29).
What are the key properties of N-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide?
N-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide has a molecular weight of 446.67 g/mol, XLogP of 4.86, 24 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide is sourced from PubChem (CID 87068786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).