2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide

C19H22BrNO3 — CID 19175976

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)COc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C19H22BrNO3/c1-13-4-6-17(7-5-13)23-9-8-21-18(22)12-24-19-14(2)10-16(20)11-15(19)3/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyZUBBJJKASMPDNI-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.95
Rot. Bonds7

About 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide

2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide (PubChem CID 19175976) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide
PubChem CID19175976
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)COc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C19H22BrNO3/c1-13-4-6-17(7-5-13)23-9-8-21-18(22)12-24-19-14(2)10-16(20)11-15(19)3/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyZUBBJJKASMPDNI-UHFFFAOYSA-N
XLogP3.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101131
N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19174758
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19175449
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930820
(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27823617
N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19174747
ethyl 4-[2-[2-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932710
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
CID 19182516

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide (CID 19175976) is 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide is Cc1ccc(OCCNC(=O)COc2c(C)cc(Br)cc2C)cc1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The InChIKey is ZUBBJJKASMPDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-13-4-6-17(7-5-13)23-9-8-21-18(22)12-24-19-14(2)10-16(20)11-15(19)3/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide has a molecular weight of 392.29 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 19175976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).