2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide

C15H22BrNO2 — CID 133252242

IUPAC2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide
SMILESCCC(C)Oc1ccc(NC(=O)C(C)(C)Br)cc1C
InChIInChI=1S/C15H22BrNO2/c1-6-11(3)19-13-8-7-12(9-10(13)2)17-14(18)15(4,5)16/h7-9,11H,6H2,1-5H3,(H,17,18)
InChIKeyZRNXVBAXZDACIA-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.28
Rot. Bonds5

About 2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide

2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide (PubChem CID 133252242) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide
PubChem CID133252242
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide
SMILESCCC(C)Oc1ccc(NC(=O)C(C)(C)Br)cc1C
InChIInChI=1S/C15H22BrNO2/c1-6-11(3)19-13-8-7-12(9-10(13)2)17-14(18)15(4,5)16/h7-9,11H,6H2,1-5H3,(H,17,18)
InChIKeyZRNXVBAXZDACIA-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2,2,2-trifluoroacetamide
CID 100688491
N-(4-butan-2-yloxy-3-methylphenyl)-2,2,2-trichloroacetamide
CID 133245821
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide
CID 100736672
N-(4-butan-2-yloxy-3-methylphenyl)-2-ethoxy-2-methylpentanamide
CID 133246636
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100723785
N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 133246040
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100726213
2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide
CID 100751670
(2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide
CID 100737758
(2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide
CID 100727452
ethyl 2-[(2S)-butan-2-yl]oxy-5-[[(2R)-2-ethoxy-2-methylheptanoyl]amino]benzoate
CID 100761247
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664966

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide (CID 133252242) is 2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide is CCC(C)Oc1ccc(NC(=O)C(C)(C)Br)cc1C.
What is the InChIKey of 2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide?
The InChIKey is ZRNXVBAXZDACIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-6-11(3)19-13-8-7-12(9-10(13)2)17-14(18)15(4,5)16/h7-9,11H,6H2,1-5H3,(H,17,18).
What are the key properties of 2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide?
2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide has a molecular weight of 328.25 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 133252242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).