2-aminoethanol;icosanamide

C22H48N2O2 — CID 157409605

IUPAC2-aminoethanol;icosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(N)=O.NCCO
InChIInChI=1S/C20H41NO.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;3-1-2-4/h2-19H2,1H3,(H2,21,22);4H,1-3H2
InChIKeyBOCUEGQXUUGJLR-UHFFFAOYSA-N
MW372.64 g/mol
LogP5.45
Rot. Bonds19

About 2-aminoethanol;icosanamide

2-aminoethanol;icosanamide (PubChem CID 157409605) has the molecular formula C22H48N2O2 and a molecular weight of 372.64 g/mol. Its IUPAC name is 2-aminoethanol;icosanamide.

Molecular Properties

Compound Name2-aminoethanol;icosanamide
PubChem CID157409605
Molecular FormulaC22H48N2O2
Molecular Weight372.64 g/mol
Exact Mass372.37
IUPAC Name2-aminoethanol;icosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(N)=O.NCCO
InChIInChI=1S/C20H41NO.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;3-1-2-4/h2-19H2,1H3,(H2,21,22);4H,1-3H2
InChIKeyBOCUEGQXUUGJLR-UHFFFAOYSA-N
XLogP5.45
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diamine;bis(octadecanamide)
CID 22256983
ethanol;tridecanamide
CID 174935457
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
sodium;dodecanamide;hydride;propan-1-amine
CID 175218223
octadecanamide;hydrochloride
CID 87891779
octadecanamide;zinc
CID 87169213
butane;octanamide
CID 87511414
CID 87899207
CID 87899207
acetamide;decanamide;dihydrochloride
CID 141131942
dodecanamide;N-methylmethanamine
CID 159337435

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;icosanamide?
The IUPAC name of 2-aminoethanol;icosanamide (CID 157409605) is 2-aminoethanol;icosanamide.
What is the SMILES notation for 2-aminoethanol;icosanamide?
The canonical SMILES for 2-aminoethanol;icosanamide is CCCCCCCCCCCCCCCCCCCC(N)=O.NCCO.
What is the InChIKey of 2-aminoethanol;icosanamide?
The InChIKey is BOCUEGQXUUGJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;3-1-2-4/h2-19H2,1H3,(H2,21,22);4H,1-3H2.
What are the key properties of 2-aminoethanol;icosanamide?
2-aminoethanol;icosanamide has a molecular weight of 372.64 g/mol, XLogP of 5.45, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;icosanamide is sourced from PubChem (CID 157409605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).