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

C29H41Cl2NO3 — CID 101298629

IUPACN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide
SMILESCCCCCCCCCCCCCCc1cccc(OCC(=O)Nc2cc(Cl)c(C)c(Cl)c2O)c1
InChIInChI=1S/C29H41Cl2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-23-17-15-18-24(19-23)35-21-27(33)32-26-20-25(30)22(2)28(31)29(26)34/h15,17-20,34H,3-14,16,21H2,1-2H3,(H,32,33)
InChIKeyQMUORVDQLCKWON-UHFFFAOYSA-N
MW522.56 g/mol
LogP9.27
Rot. Bonds17

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

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide (PubChem CID 101298629) has the molecular formula C29H41Cl2NO3 and a molecular weight of 522.56 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide
PubChem CID101298629
Molecular FormulaC29H41Cl2NO3
Molecular Weight522.56 g/mol
Exact Mass521.25
IUPAC NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide
SMILESCCCCCCCCCCCCCCc1cccc(OCC(=O)Nc2cc(Cl)c(C)c(Cl)c2O)c1
InChIInChI=1S/C29H41Cl2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-23-17-15-18-24(19-23)35-21-27(33)32-26-20-25(30)22(2)28(31)29(26)34/h15,17-20,34H,3-14,16,21H2,1-2H3,(H,32,33)
InChIKeyQMUORVDQLCKWON-UHFFFAOYSA-N
XLogP9.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.56
LogP ≤ 59.27
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'}

Analyze N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)-2-(2-undecylphenoxy)acetamide
CID 101298619
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide
CID 154397523
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(2-octylphenoxy)propanamide
CID 101298643
N-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide
CID 4733346
(2-pentadecylphenyl) N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 101298599
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide
CID 19093274
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide
CID 59817322
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide
CID 101298692
2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 43912190

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide (CID 101298629) is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide is CCCCCCCCCCCCCCc1cccc(OCC(=O)Nc2cc(Cl)c(C)c(Cl)c2O)c1.
What is the InChIKey of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide?
The InChIKey is QMUORVDQLCKWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41Cl2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-23-17-15-18-24(19-23)35-21-27(33)32-26-20-25(30)22(2)28(31)29(26)34/h15,17-20,34H,3-14,16,21H2,1-2H3,(H,32,33).
What are the key properties of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide?
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide has a molecular weight of 522.56 g/mol, XLogP of 9.27, 17 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-(3-tetradecylphenoxy)acetamide is sourced from PubChem (CID 101298629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).