N-(2-hydroxyethyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide

C24H41NO4 — CID 11575063

IUPACN-(2-hydroxyethyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide
SMILESCCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1
InChIInChI=1S/C24H41NO4/c1-2-3-10-13-21-18-22(27)20-23(19-21)29-17-12-9-7-5-4-6-8-11-14-24(28)25-15-16-26/h18-20,26-27H,2-17H2,1H3,(H,25,28)
InChIKeyDRWQZEYHAAXGEF-UHFFFAOYSA-N
MW407.60 g/mol
LogP5.12
Rot. Bonds18

About N-(2-hydroxyethyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide

N-(2-hydroxyethyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide (PubChem CID 11575063) has the molecular formula C24H41NO4 and a molecular weight of 407.60 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide
PubChem CID11575063
Molecular FormulaC24H41NO4
Molecular Weight407.60 g/mol
Exact Mass407.30
IUPAC NameN-(2-hydroxyethyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide
SMILESCCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1
InChIInChI=1S/C24H41NO4/c1-2-3-10-13-21-18-22(27)20-23(19-21)29-17-12-9-7-5-4-6-8-11-14-24(28)25-15-16-26/h18-20,26-27H,2-17H2,1H3,(H,25,28)
InChIKeyDRWQZEYHAAXGEF-UHFFFAOYSA-N
XLogP5.12
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)-11-(3-hydroxy-5-pentylphenoxy)undecanamide?
The IUPAC name of N-(2-hydroxyethyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide (CID 11575063) is N-(2-hydroxyethyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide?
The canonical SMILES for N-(2-hydroxyethyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide is CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide?
The InChIKey is DRWQZEYHAAXGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO4/c1-2-3-10-13-21-18-22(27)20-23(19-21)29-17-12-9-7-5-4-6-8-11-14-24(28)25-15-16-26/h18-20,26-27H,2-17H2,1H3,(H,25,28).
What are the key properties of N-(2-hydroxyethyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide?
N-(2-hydroxyethyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide has a molecular weight of 407.60 g/mol, XLogP of 5.12, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide is sourced from PubChem (CID 11575063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).