4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide

C19H22BrNO4 — CID 19201751

IUPAC4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCOc2ccc(C)cc2Br)cc1OC
InChIInChI=1S/C19H22BrNO4/c1-13-6-8-16(15(20)11-13)25-10-4-5-19(22)21-14-7-9-17(23-2)18(12-14)24-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)
InChIKeyCZWNSWGDAHMNRG-UHFFFAOYSA-N
MW408.29 g/mol
LogP4.57
Rot. Bonds8

About 4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide

4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide (PubChem CID 19201751) has the molecular formula C19H22BrNO4 and a molecular weight of 408.29 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
PubChem CID19201751
Molecular FormulaC19H22BrNO4
Molecular Weight408.29 g/mol
Exact Mass407.07
IUPAC Name4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCOc2ccc(C)cc2Br)cc1OC
InChIInChI=1S/C19H22BrNO4/c1-13-6-8-16(15(20)11-13)25-10-4-5-19(22)21-14-7-9-17(23-2)18(12-14)24-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)
InChIKeyCZWNSWGDAHMNRG-UHFFFAOYSA-N
XLogP4.57
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 54.57
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-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 19202702
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19206218
4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 19201641
4-(2-bromo-4-methylphenoxy)-N-(4-iodophenyl)butanamide
CID 19202098
4-(2-bromo-4-methylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
CID 19202635
4-(2-bromo-4-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
CID 19202501
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
propyl 4-[4-(2-bromo-4-methylphenoxy)butanoylamino]benzoate
CID 19201851
4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide
CID 55738606
N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide
CID 9103080
4-(2-bromo-4-tert-butylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19201525
4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19191082

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide (CID 19201751) is 4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide is COc1ccc(NC(=O)CCCOc2ccc(C)cc2Br)cc1OC.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide?
The InChIKey is CZWNSWGDAHMNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO4/c1-13-6-8-16(15(20)11-13)25-10-4-5-19(22)21-14-7-9-17(23-2)18(12-14)24-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22).
What are the key properties of 4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide?
4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide has a molecular weight of 408.29 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 19201751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).