2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide

C15H22BrNO2 — CID 965418

IUPAC2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide
SMILESCc1ccc(OCC(=O)N(C(C)C)C(C)C)c(Br)c1
InChIInChI=1S/C15H22BrNO2/c1-10(2)17(11(3)4)15(18)9-19-14-7-6-12(5)8-13(14)16/h6-8,10-11H,9H2,1-5H3
InChIKeyUDXQTLBBPKVQFQ-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.78
Rot. Bonds5

About 2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide

2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide (PubChem CID 965418) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide
PubChem CID965418
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide
SMILESCc1ccc(OCC(=O)N(C(C)C)C(C)C)c(Br)c1
InChIInChI=1S/C15H22BrNO2/c1-10(2)17(11(3)4)15(18)9-19-14-7-6-12(5)8-13(14)16/h6-8,10-11H,9H2,1-5H3
InChIKeyUDXQTLBBPKVQFQ-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide
CID 19169501
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
1-(2-bromo-4-methylphenoxy)butan-2-one
CID 62040640
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60682396
2-(2-bromo-4-methylphenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107483037
5-bromo-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]benzoic acid
CID 103601812
methyl 3-[[2-(2-bromo-4-methylphenoxy)acetyl]-methylamino]propanoate
CID 61031824
(4-propan-2-ylphenyl) 2-(2-bromo-4-methylphenoxy)acetate
CID 5208741
2-(2-bromo-4-methylphenoxy)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79403271
2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252821
2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 892170
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide (CID 965418) is 2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide is Cc1ccc(OCC(=O)N(C(C)C)C(C)C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide?
The InChIKey is UDXQTLBBPKVQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-10(2)17(11(3)4)15(18)9-19-14-7-6-12(5)8-13(14)16/h6-8,10-11H,9H2,1-5H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide?
2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide has a molecular weight of 328.25 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 965418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).