N-[3-(2-hydroxyethylamino)propyl]docosanamide

C27H56N2O2 — CID 87068513

IUPACN-[3-(2-hydroxyethylamino)propyl]docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCNCCO
InChIInChI=1S/C27H56N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27(31)29-24-21-23-28-25-26-30/h28,30H,2-26H2,1H3,(H,29,31)
InChIKeyVIVFFDNMUFKIGH-UHFFFAOYSA-N
MW440.76 g/mol
LogP6.90
Rot. Bonds26

About N-[3-(2-hydroxyethylamino)propyl]docosanamide

N-[3-(2-hydroxyethylamino)propyl]docosanamide (PubChem CID 87068513) has the molecular formula C27H56N2O2 and a molecular weight of 440.76 g/mol. Its IUPAC name is N-[3-(2-hydroxyethylamino)propyl]docosanamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethylamino)propyl]docosanamide
PubChem CID87068513
Molecular FormulaC27H56N2O2
Molecular Weight440.76 g/mol
Exact Mass440.43
IUPAC NameN-[3-(2-hydroxyethylamino)propyl]docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCNCCO
InChIInChI=1S/C27H56N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27(31)29-24-21-23-28-25-26-30/h28,30H,2-26H2,1H3,(H,29,31)
InChIKeyVIVFFDNMUFKIGH-UHFFFAOYSA-N
XLogP6.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.76
LogP ≤ 56.90
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

N-dodecyl-6-(2-hydroxyethylamino)hexanamide
CID 58105463
N-[2-(2-hydroxyethylamino)ethyl]undecanamide
CID 102117562
N-[3-(3,3-dihydroxypropylamino)propyl]hexadecanamide;N-[3-(2-hydroxyethylamino)propyl]hexadecanamide
CID 155339381
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide
CID 24992297
N-(3-hydroxypropyl)docosanamide
CID 87200048
12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide
CID 158068509
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethylamino)propyl]docosanamide?
The IUPAC name of N-[3-(2-hydroxyethylamino)propyl]docosanamide (CID 87068513) is N-[3-(2-hydroxyethylamino)propyl]docosanamide.
What is the SMILES notation for N-[3-(2-hydroxyethylamino)propyl]docosanamide?
The canonical SMILES for N-[3-(2-hydroxyethylamino)propyl]docosanamide is CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCNCCO.
What is the InChIKey of N-[3-(2-hydroxyethylamino)propyl]docosanamide?
The InChIKey is VIVFFDNMUFKIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27(31)29-24-21-23-28-25-26-30/h28,30H,2-26H2,1H3,(H,29,31).
What are the key properties of N-[3-(2-hydroxyethylamino)propyl]docosanamide?
N-[3-(2-hydroxyethylamino)propyl]docosanamide has a molecular weight of 440.76 g/mol, XLogP of 6.90, 26 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethylamino)propyl]docosanamide is sourced from PubChem (CID 87068513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).