4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide

C20H22BrNO4 — CID 55738606

IUPAC4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C20H22BrNO4/c1-13-6-8-16(12-17(13)21)22-20(24)5-4-10-26-18-9-7-15(14(2)23)11-19(18)25-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,22,24)
InChIKeyLDQUQCXYEJETJI-UHFFFAOYSA-N
MW420.30 g/mol
LogP4.77
Rot. Bonds8

About 4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide

4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide (PubChem CID 55738606) has the molecular formula C20H22BrNO4 and a molecular weight of 420.30 g/mol. Its IUPAC name is 4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide
PubChem CID55738606
Molecular FormulaC20H22BrNO4
Molecular Weight420.30 g/mol
Exact Mass419.07
IUPAC Name4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C20H22BrNO4/c1-13-6-8-16(12-17(13)21)22-20(24)5-4-10-26-18-9-7-15(14(2)23)11-19(18)25-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,22,24)
InChIKeyLDQUQCXYEJETJI-UHFFFAOYSA-N
XLogP4.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide
CID 55894328
4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19201751
N-(3-bromo-4-methylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109039288
4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide
CID 55789835
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181020
4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
CID 119422412
4-(4-acetyl-2-methoxyphenoxy)-N-[4-[benzyl(methyl)amino]phenyl]butanamide
CID 60536977
4-(2-bromo-4-tert-butylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19201525
4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 55741827
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19206218

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide?
The IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide (CID 55738606) is 4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide.
What is the SMILES notation for 4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide?
The canonical SMILES for 4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide is COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of 4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide?
The InChIKey is LDQUQCXYEJETJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO4/c1-13-6-8-16(12-17(13)21)22-20(24)5-4-10-26-18-9-7-15(14(2)23)11-19(18)25-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,22,24).
What are the key properties of 4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide?
4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide has a molecular weight of 420.30 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide is sourced from PubChem (CID 55738606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).