N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide

C32H47Cl2NO3 — CID 59961227

IUPACN-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide
SMILESCCCCCCCCCCC(Oc1ccc(C)cc1C(C)(C)CC)C(=O)Nc1cc(Cl)c(CC)c(Cl)c1O
InChIInChI=1S/C32H47Cl2NO3/c1-7-10-11-12-13-14-15-16-17-28(38-27-19-18-22(4)20-24(27)32(5,6)9-3)31(37)35-26-21-25(33)23(8-2)29(34)30(26)36/h18-21,28,36H,7-17H2,1-6H3,(H,35,37)
InChIKeySYSGFYPEDVZHDR-UHFFFAOYSA-N
MW564.64 g/mol
LogP10.17
Rot. Bonds16

About N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide

N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide (PubChem CID 59961227) has the molecular formula C32H47Cl2NO3 and a molecular weight of 564.64 g/mol. Its IUPAC name is N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide
PubChem CID59961227
Molecular FormulaC32H47Cl2NO3
Molecular Weight564.64 g/mol
Exact Mass563.29
IUPAC NameN-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide
SMILESCCCCCCCCCCC(Oc1ccc(C)cc1C(C)(C)CC)C(=O)Nc1cc(Cl)c(CC)c(Cl)c1O
InChIInChI=1S/C32H47Cl2NO3/c1-7-10-11-12-13-14-15-16-17-28(38-27-19-18-22(4)20-24(27)32(5,6)9-3)31(37)35-26-21-25(33)23(8-2)29(34)30(26)36/h18-21,28,36H,7-17H2,1-6H3,(H,35,37)
InChIKeySYSGFYPEDVZHDR-UHFFFAOYSA-N
XLogP10.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.64
LogP ≤ 510.17
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-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide 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-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide
CID 19391879
2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide
CID 101164913
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide
CID 20576468
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide
CID 18716695
2-chloro-N-[3-chloro-4-[2-(2-chloro-4-methylphenoxy)octanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide
CID 54557694
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3-chloro-2-hydroxy-5-isothiocyanato-4-methylphenyl)butanamide
CID 21426824
2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butanoyl chloride
CID 19391870
N-[4-acetamido-5-chloro-2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)phenyl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide
CID 102370757
(E)-3-[3-chloro-5-[2-(2,4-dimethylphenoxy)butanoylamino]-2-ethyl-4-hydroxyphenyl]sulfanylprop-2-enoic acid
CID 59899958
methyl 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoate
CID 54082912
1-benzyl-5-methylimidazolidine-2,4-dione;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)acetamide;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)hexanamide;methane;2-methylbenzamide;2-methylbenzoic acid;(2-methyl-4-phenylhexan-2-yl)benzene
CID 161358328
2-(2,4-dimethylphenoxy)-N-(2-methylpropyl)octanamide
CID 54249044

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide?
The IUPAC name of N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide (CID 59961227) is N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide.
What is the SMILES notation for N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide?
The canonical SMILES for N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide is CCCCCCCCCCC(Oc1ccc(C)cc1C(C)(C)CC)C(=O)Nc1cc(Cl)c(CC)c(Cl)c1O.
What is the InChIKey of N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide?
The InChIKey is SYSGFYPEDVZHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47Cl2NO3/c1-7-10-11-12-13-14-15-16-17-28(38-27-19-18-22(4)20-24(27)32(5,6)9-3)31(37)35-26-21-25(33)23(8-2)29(34)30(26)36/h18-21,28,36H,7-17H2,1-6H3,(H,35,37).
What are the key properties of N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide?
N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide has a molecular weight of 564.64 g/mol, XLogP of 10.17, 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-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide is sourced from PubChem (CID 59961227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).