N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide

C20H23Cl2NO3 — CID 18716695

IUPACN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide
SMILESCCc1cc(C)ccc1OC(CC)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C20H23Cl2NO3/c1-5-13-9-11(3)7-8-17(13)26-16(6-2)20(25)23-15-10-14(21)12(4)18(22)19(15)24/h7-10,16,24H,5-6H2,1-4H3,(H,23,25)
InChIKeyULUTWOZKUZZTDJ-UHFFFAOYSA-N
MW396.31 g/mol
LogP5.67
Rot. Bonds6

About N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide (PubChem CID 18716695) has the molecular formula C20H23Cl2NO3 and a molecular weight of 396.31 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide
PubChem CID18716695
Molecular FormulaC20H23Cl2NO3
Molecular Weight396.31 g/mol
Exact Mass395.11
IUPAC NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide
SMILESCCc1cc(C)ccc1OC(CC)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C20H23Cl2NO3/c1-5-13-9-11(3)7-8-17(13)26-16(6-2)20(25)23-15-10-14(21)12(4)18(22)19(15)24/h7-10,16,24H,5-6H2,1-4H3,(H,23,25)
InChIKeyULUTWOZKUZZTDJ-UHFFFAOYSA-N
XLogP5.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.31
LogP ≤ 55.67
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

2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide
CID 101164913
(E)-3-[3-chloro-5-[2-(2,4-dimethylphenoxy)butanoylamino]-2-ethyl-4-hydroxyphenyl]sulfanylprop-2-enoic acid
CID 59899958
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
(2R)-2-(2-chlorophenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 30396975
N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 132760463
ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 102371943
N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide
CID 59961227
2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 132651179
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 92673580
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3-chloro-2-hydroxy-5-isothiocyanato-4-methylphenyl)butanamide
CID 21426824
(2R)-2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 28635073
(2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 9172738

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide (CID 18716695) is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide is CCc1cc(C)ccc1OC(CC)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O.
What is the InChIKey of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide?
The InChIKey is ULUTWOZKUZZTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO3/c1-5-13-9-11(3)7-8-17(13)26-16(6-2)20(25)23-15-10-14(21)12(4)18(22)19(15)24/h7-10,16,24H,5-6H2,1-4H3,(H,23,25).
What are the key properties of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide?
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide has a molecular weight of 396.31 g/mol, XLogP of 5.67, 6 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-ethyl-4-methylphenoxy)butanamide is sourced from PubChem (CID 18716695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).