N,N-bis(2-hydroxyethyl)docosanamide

C26H53NO3 — CID 14455181

IUPACN,N-bis(2-hydroxyethyl)docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C26H53NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)27(22-24-28)23-25-29/h28-29H,2-25H2,1H3
InChIKeyUWDGKUMOFQTNHC-UHFFFAOYSA-N
MW427.71 g/mol
LogP6.62
Rot. Bonds24

About N,N-bis(2-hydroxyethyl)docosanamide

N,N-bis(2-hydroxyethyl)docosanamide (PubChem CID 14455181) has the molecular formula C26H53NO3 and a molecular weight of 427.71 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)docosanamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)docosanamide
PubChem CID14455181
Molecular FormulaC26H53NO3
Molecular Weight427.71 g/mol
Exact Mass427.40
IUPAC NameN,N-bis(2-hydroxyethyl)docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C26H53NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)27(22-24-28)23-25-29/h28-29H,2-25H2,1H3
InChIKeyUWDGKUMOFQTNHC-UHFFFAOYSA-N
XLogP6.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.71
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)docosanamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)docosanamide (CID 14455181) is N,N-bis(2-hydroxyethyl)docosanamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)docosanamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)docosanamide is CCCCCCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)docosanamide?
The InChIKey is UWDGKUMOFQTNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)27(22-24-28)23-25-29/h28-29H,2-25H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)docosanamide?
N,N-bis(2-hydroxyethyl)docosanamide has a molecular weight of 427.71 g/mol, XLogP of 6.62, 24 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)docosanamide is sourced from PubChem (CID 14455181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).