N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)octadecanamide

C36H73NO3 — CID 19982433

IUPACN-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CCO)CC(O)CCCCCCCCCCCCCC
InChIInChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(40)37(32-33-38)34-35(39)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h35,38-39H,3-34H2,1-2H3
InChIKeyUIXXNQDNAHRUSP-UHFFFAOYSA-N
MW567.98 g/mol
LogP10.52
Rot. Bonds33

About N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)octadecanamide

N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)octadecanamide (PubChem CID 19982433) has the molecular formula C36H73NO3 and a molecular weight of 567.98 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)octadecanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)octadecanamide
PubChem CID19982433
Molecular FormulaC36H73NO3
Molecular Weight567.98 g/mol
Exact Mass567.56
IUPAC NameN-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CCO)CC(O)CCCCCCCCCCCCCC
InChIInChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(40)37(32-33-38)34-35(39)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h35,38-39H,3-34H2,1-2H3
InChIKeyUIXXNQDNAHRUSP-UHFFFAOYSA-N
XLogP10.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds33
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.98
LogP ≤ 510.52
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-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)octadecanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)octadecanamide (CID 19982433) is N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)octadecanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)octadecanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)N(CCO)CC(O)CCCCCCCCCCCCCC.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)octadecanamide?
The InChIKey is UIXXNQDNAHRUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(40)37(32-33-38)34-35(39)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h35,38-39H,3-34H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)octadecanamide?
N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)octadecanamide has a molecular weight of 567.98 g/mol, XLogP of 10.52, 33 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)octadecanamide is sourced from PubChem (CID 19982433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).