2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide

C21H26BrNO4 — CID 54776621

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)COc2c(C)cc(Br)cc2C)cc1OC
InChIInChI=1S/C21H26BrNO4/c1-5-8-26-18-7-6-16(11-19(18)25-4)12-23-20(24)13-27-21-14(2)9-17(22)10-15(21)3/h6-7,9-11H,5,8,12-13H2,1-4H3,(H,23,24)
InChIKeyNVTWKYBRRHIDJG-UHFFFAOYSA-N
MW436.35 g/mol
LogP4.56
Rot. Bonds9

About 2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide

2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide (PubChem CID 54776621) has the molecular formula C21H26BrNO4 and a molecular weight of 436.35 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
PubChem CID54776621
Molecular FormulaC21H26BrNO4
Molecular Weight436.35 g/mol
Exact Mass435.10
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)COc2c(C)cc(Br)cc2C)cc1OC
InChIInChI=1S/C21H26BrNO4/c1-5-8-26-18-7-6-16(11-19(18)25-4)12-23-20(24)13-27-21-14(2)9-17(22)10-15(21)3/h6-7,9-11H,5,8,12-13H2,1-4H3,(H,23,24)
InChIKeyNVTWKYBRRHIDJG-UHFFFAOYSA-N
XLogP4.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

2-(4-tert-butylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 54777035
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
CID 39971359
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-chloro-N-[(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 82110117
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19175722
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-propoxyphenoxy)acetamide
CID 24553271
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide (CID 54776621) is 2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide is CCCOc1ccc(CNC(=O)COc2c(C)cc(Br)cc2C)cc1OC.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide?
The InChIKey is NVTWKYBRRHIDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO4/c1-5-8-26-18-7-6-16(11-19(18)25-4)12-23-20(24)13-27-21-14(2)9-17(22)10-15(21)3/h6-7,9-11H,5,8,12-13H2,1-4H3,(H,23,24).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide has a molecular weight of 436.35 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide is sourced from PubChem (CID 54776621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).