N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide

C26H35Cl2NO3 — CID 101298619

IUPACN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide
SMILESCCCCCCCCCCCc1ccccc1OCC(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C26H35Cl2NO3/c1-3-4-5-6-7-8-9-10-11-14-20-15-12-13-16-23(20)32-18-24(30)29-22-17-21(27)19(2)25(28)26(22)31/h12-13,15-17,31H,3-11,14,18H2,1-2H3,(H,29,30)
InChIKeyGACRWYSNEIUSGF-UHFFFAOYSA-N
MW480.48 g/mol
LogP8.10
Rot. Bonds14

About N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide (PubChem CID 101298619) has the molecular formula C26H35Cl2NO3 and a molecular weight of 480.48 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide
PubChem CID101298619
Molecular FormulaC26H35Cl2NO3
Molecular Weight480.48 g/mol
Exact Mass479.20
IUPAC NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide
SMILESCCCCCCCCCCCc1ccccc1OCC(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C26H35Cl2NO3/c1-3-4-5-6-7-8-9-10-11-14-20-15-12-13-16-23(20)32-18-24(30)29-22-17-21(27)19(2)25(28)26(22)31/h12-13,15-17,31H,3-11,14,18H2,1-2H3,(H,29,30)
InChIKeyGACRWYSNEIUSGF-UHFFFAOYSA-N
XLogP8.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.48
LogP ≤ 58.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(2-octylphenoxy)propanamide
CID 101298643
(2-pentadecylphenyl) N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 101298599
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide
CID 101298692
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide
CID 101298629
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide
CID 5236290
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide
CID 154397523
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide
CID 101298635
(3-octylphenyl) N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 101298579
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-nonylphenoxy)propanamide
CID 101298681
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide
CID 19093274
2-(2-dodecylphenoxy)acetic acid
CID 572415
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide
CID 59817322

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide (CID 101298619) is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide is CCCCCCCCCCCc1ccccc1OCC(=O)Nc1cc(Cl)c(C)c(Cl)c1O.
What is the InChIKey of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide?
The InChIKey is GACRWYSNEIUSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35Cl2NO3/c1-3-4-5-6-7-8-9-10-11-14-20-15-12-13-16-23(20)32-18-24(30)29-22-17-21(27)19(2)25(28)26(22)31/h12-13,15-17,31H,3-11,14,18H2,1-2H3,(H,29,30).
What are the key properties of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide?
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide has a molecular weight of 480.48 g/mol, XLogP of 8.10, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide is sourced from PubChem (CID 101298619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).