4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide

C18H20BrNO3 — CID 2684775

IUPAC4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
SMILESCOc1ccc(C)cc1NC(=O)CCCOc1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO3/c1-13-5-10-17(22-2)16(12-13)20-18(21)4-3-11-23-15-8-6-14(19)7-9-15/h5-10,12H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyZCOKPLXJBDQFRB-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.56
Rot. Bonds7

About 4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide

4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide (PubChem CID 2684775) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
PubChem CID2684775
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
SMILESCOc1ccc(C)cc1NC(=O)CCCOc1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO3/c1-13-5-10-17(22-2)16(12-13)20-18(21)4-3-11-23-15-8-6-14(19)7-9-15/h5-10,12H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyZCOKPLXJBDQFRB-UHFFFAOYSA-N
XLogP4.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.56
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

4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 19202702
N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
CID 19191443
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 40712962
N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
CID 7695554
4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 84553998
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
methyl 4,5-dimethoxy-2-[4-(4-methylphenoxy)butanoylamino]benzoate
CID 7917719
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
2-(4-bromo-2-methylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1363313
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The IUPAC name of 4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide (CID 2684775) is 4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide is COc1ccc(C)cc1NC(=O)CCCOc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The InChIKey is ZCOKPLXJBDQFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-13-5-10-17(22-2)16(12-13)20-18(21)4-3-11-23-15-8-6-14(19)7-9-15/h5-10,12H,3-4,11H2,1-2H3,(H,20,21).
What are the key properties of 4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide has a molecular weight of 378.27 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide is sourced from PubChem (CID 2684775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).