N,N-bis(2-hydroxyethyl)octadecanamide

C22H45NO3 — CID 7163

IUPACN,N-bis(2-hydroxyethyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h24-25H,2-21H2,1H3
InChIKeyXGZOMURMPLSSKQ-UHFFFAOYSA-N
MW371.61 g/mol
LogP5.06
Rot. Bonds20

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

N,N-bis(2-hydroxyethyl)octadecanamide (PubChem CID 7163) has the molecular formula C22H45NO3 and a molecular weight of 371.61 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)octadecanamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)octadecanamide
PubChem CID7163
Molecular FormulaC22H45NO3
Molecular Weight371.61 g/mol
Exact Mass371.34
IUPAC NameN,N-bis(2-hydroxyethyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h24-25H,2-21H2,1H3
InChIKeyXGZOMURMPLSSKQ-UHFFFAOYSA-N
XLogP5.06
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 55.06
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)octadecanamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)octadecanamide (CID 7163) is N,N-bis(2-hydroxyethyl)octadecanamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)octadecanamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)octadecanamide?
The InChIKey is XGZOMURMPLSSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h24-25H,2-21H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)octadecanamide?
N,N-bis(2-hydroxyethyl)octadecanamide has a molecular weight of 371.61 g/mol, XLogP of 5.06, 20 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)octadecanamide is sourced from PubChem (CID 7163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).