2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide

C26H35Cl2NO3 — CID 101164913

IUPAC2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide
SMILESCCc1c(Cl)cc(NC(=O)C(CC)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(O)c1Cl
InChIInChI=1S/C26H35Cl2NO3/c1-9-16-18(27)14-19(23(30)22(16)28)29-24(31)20(10-2)32-21-12-11-15(25(3,4)5)13-17(21)26(6,7)8/h11-14,20,30H,9-10H2,1-8H3,(H,29,31)
InChIKeyAOWLHSONHKKUGM-UHFFFAOYSA-N
MW480.48 g/mol
LogP7.65
Rot. Bonds6

About 2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide

2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide (PubChem CID 101164913) has the molecular formula C26H35Cl2NO3 and a molecular weight of 480.48 g/mol. Its IUPAC name is 2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide.

Molecular Properties

Compound Name2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide
PubChem CID101164913
Molecular FormulaC26H35Cl2NO3
Molecular Weight480.48 g/mol
Exact Mass479.20
IUPAC Name2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide
SMILESCCc1c(Cl)cc(NC(=O)C(CC)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(O)c1Cl
InChIInChI=1S/C26H35Cl2NO3/c1-9-16-18(27)14-19(23(30)22(16)28)29-24(31)20(10-2)32-21-12-11-15(25(3,4)5)13-17(21)26(6,7)8/h11-14,20,30H,9-10H2,1-8H3,(H,29,31)
InChIKeyAOWLHSONHKKUGM-UHFFFAOYSA-N
XLogP7.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.48
LogP ≤ 57.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide
CID 59961227
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide
CID 18716695
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
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3-chloro-2-hydroxy-5-isothiocyanato-4-methylphenyl)butanamide
CID 21426824
(E)-3-[3-chloro-5-[2-(2,4-dimethylphenoxy)butanoylamino]-2-ethyl-4-hydroxyphenyl]sulfanylprop-2-enoic acid
CID 59899958
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[[2-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]disulfanyl]phenyl]butanamide
CID 11828951
(2S)-N-(3-amino-4-chlorophenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide
CID 92846699
N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide
CID 19391879
(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573436
(2R)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573433
N-[4-(2-acetylhydrazinyl)phenyl]-2-(2,4-ditert-butylphenoxy)-N-hydroxybutanamide
CID 57069575
(2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 94011805

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide?
The IUPAC name of 2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide (CID 101164913) is 2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide.
What is the SMILES notation for 2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide?
The canonical SMILES for 2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide is CCc1c(Cl)cc(NC(=O)C(CC)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(O)c1Cl.
What is the InChIKey of 2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide?
The InChIKey is AOWLHSONHKKUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35Cl2NO3/c1-9-16-18(27)14-19(23(30)22(16)28)29-24(31)20(10-2)32-21-12-11-15(25(3,4)5)13-17(21)26(6,7)8/h11-14,20,30H,9-10H2,1-8H3,(H,29,31).
What are the key properties of 2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide?
2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide has a molecular weight of 480.48 g/mol, XLogP of 7.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide is sourced from PubChem (CID 101164913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).