N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide

C29H41Cl2NO3 — CID 101298692

IUPACN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide
SMILESCCCCCCCCCCCCCc1ccccc1OC(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C29H41Cl2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-18-15-16-19-26(23)35-22(3)29(34)32-25-20-24(30)21(2)27(31)28(25)33/h15-16,18-20,22,33H,4-14,17H2,1-3H3,(H,32,34)
InChIKeyQEZYFYZGHSUPCS-UHFFFAOYSA-N
MW522.56 g/mol
LogP9.27
Rot. Bonds16

About N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide (PubChem CID 101298692) 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-(2-tridecylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide
PubChem CID101298692
Molecular FormulaC29H41Cl2NO3
Molecular Weight522.56 g/mol
Exact Mass521.25
IUPAC NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide
SMILESCCCCCCCCCCCCCc1ccccc1OC(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C29H41Cl2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-18-15-16-19-26(23)35-22(3)29(34)32-25-20-24(30)21(2)27(31)28(25)33/h15-16,18-20,22,33H,4-14,17H2,1-3H3,(H,32,34)
InChIKeyQEZYFYZGHSUPCS-UHFFFAOYSA-N
XLogP9.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
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'}

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Related Compounds

(2-pentadecylphenyl) N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 101298599
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)-3-(2-octylphenoxy)propanamide
CID 101298643
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide
CID 20576468
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
CID 92646921
(3-octylphenyl) N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 101298579
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide
CID 18716695
1-(2-dodecylphenoxy)ethanol
CID 175113805
N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide
CID 15917903
N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 43907389
(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 94011869

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide (CID 101298692) is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide is CCCCCCCCCCCCCc1ccccc1OC(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O.
What is the InChIKey of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide?
The InChIKey is QEZYFYZGHSUPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41Cl2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-18-15-16-19-26(23)35-22(3)29(34)32-25-20-24(30)21(2)27(31)28(25)33/h15-16,18-20,22,33H,4-14,17H2,1-3H3,(H,32,34).
What are the key properties of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide?
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide has a molecular weight of 522.56 g/mol, XLogP of 9.27, 16 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-tridecylphenoxy)propanamide is sourced from PubChem (CID 101298692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).