N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide

C20H24BrNO2 — CID 2072293

IUPACN-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
SMILESCc1cc(OCCCC(=O)Nc2ccc(Br)cc2)ccc1C(C)C
InChIInChI=1S/C20H24BrNO2/c1-14(2)19-11-10-18(13-15(19)3)24-12-4-5-20(23)22-17-8-6-16(21)7-9-17/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyXEZSLVSNRGWLRM-UHFFFAOYSA-N
MW390.32 g/mol
LogP5.68
Rot. Bonds7

About N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide

N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide (PubChem CID 2072293) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
PubChem CID2072293
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC NameN-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
SMILESCc1cc(OCCCC(=O)Nc2ccc(Br)cc2)ccc1C(C)C
InChIInChI=1S/C20H24BrNO2/c1-14(2)19-11-10-18(13-15(19)3)24-12-4-5-20(23)22-17-8-6-16(21)7-9-17/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyXEZSLVSNRGWLRM-UHFFFAOYSA-N
XLogP5.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methyl-4-propan-2-ylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 2072259
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072321
4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 2072355
methyl 3-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 2072267
N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072237
cyclohexyl 4-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 19237132
propyl 3-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 2072273
N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 53267686
butyl 3-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 19237131
N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072263
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide
CID 27700039

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
The IUPAC name of N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide (CID 2072293) is N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
The canonical SMILES for N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide is Cc1cc(OCCCC(=O)Nc2ccc(Br)cc2)ccc1C(C)C.
What is the InChIKey of N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
The InChIKey is XEZSLVSNRGWLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2/c1-14(2)19-11-10-18(13-15(19)3)24-12-4-5-20(23)22-17-8-6-16(21)7-9-17/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23).
What are the key properties of N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide has a molecular weight of 390.32 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide is sourced from PubChem (CID 2072293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).