N-[1-(2-hydroxyethylamino)ethyl]octadecanamide

C22H46N2O2 — CID 22287972

IUPACN-[1-(2-hydroxyethylamino)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(C)NCCO
InChIInChI=1S/C22H46N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)24-21(2)23-19-20-25/h21,23,25H,3-20H2,1-2H3,(H,24,26)
InChIKeyWNZBBFRXGUKREQ-UHFFFAOYSA-N
MW370.62 g/mol
LogP5.29
Rot. Bonds20

About N-[1-(2-hydroxyethylamino)ethyl]octadecanamide

N-[1-(2-hydroxyethylamino)ethyl]octadecanamide (PubChem CID 22287972) has the molecular formula C22H46N2O2 and a molecular weight of 370.62 g/mol. Its IUPAC name is N-[1-(2-hydroxyethylamino)ethyl]octadecanamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethylamino)ethyl]octadecanamide
PubChem CID22287972
Molecular FormulaC22H46N2O2
Molecular Weight370.62 g/mol
Exact Mass370.36
IUPAC NameN-[1-(2-hydroxyethylamino)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(C)NCCO
InChIInChI=1S/C22H46N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)24-21(2)23-19-20-25/h21,23,25H,3-20H2,1-2H3,(H,24,26)
InChIKeyWNZBBFRXGUKREQ-UHFFFAOYSA-N
XLogP5.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
N-pentan-2-ylundecanamide
CID 173258559
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N-(1,3-dihydroxypropyl)heptanamide
CID 130176524
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
N-octadecan-2-ylhexadecanamide
CID 87600664
2-(hexanoylamino)propanoic acid
CID 2828500
N-(1,3-dihydroxypropan-2-yl)tridecanamide
CID 87498301
N-heptan-2-yldodecanamide
CID 3484810

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethylamino)ethyl]octadecanamide?
The IUPAC name of N-[1-(2-hydroxyethylamino)ethyl]octadecanamide (CID 22287972) is N-[1-(2-hydroxyethylamino)ethyl]octadecanamide.
What is the SMILES notation for N-[1-(2-hydroxyethylamino)ethyl]octadecanamide?
The canonical SMILES for N-[1-(2-hydroxyethylamino)ethyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC(C)NCCO.
What is the InChIKey of N-[1-(2-hydroxyethylamino)ethyl]octadecanamide?
The InChIKey is WNZBBFRXGUKREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)24-21(2)23-19-20-25/h21,23,25H,3-20H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(2-hydroxyethylamino)ethyl]octadecanamide?
N-[1-(2-hydroxyethylamino)ethyl]octadecanamide has a molecular weight of 370.62 g/mol, XLogP of 5.29, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethylamino)ethyl]octadecanamide is sourced from PubChem (CID 22287972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).