N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide

C16H22BrNO2 — CID 63939813

IUPACN-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide
SMILESCc1cc(Br)cc(C)c1NC(=O)CCC1CCCCO1
InChIInChI=1S/C16H22BrNO2/c1-11-9-13(17)10-12(2)16(11)18-15(19)7-6-14-5-3-4-8-20-14/h9-10,14H,3-8H2,1-2H3,(H,18,19)
InChIKeyIJHSEWFIRIWESP-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.35
Rot. Bonds4

About N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide

N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide (PubChem CID 63939813) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide
PubChem CID63939813
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide
SMILESCc1cc(Br)cc(C)c1NC(=O)CCC1CCCCO1
InChIInChI=1S/C16H22BrNO2/c1-11-9-13(17)10-12(2)16(11)18-15(19)7-6-14-5-3-4-8-20-14/h9-10,14H,3-8H2,1-2H3,(H,18,19)
InChIKeyIJHSEWFIRIWESP-UHFFFAOYSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63940200
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 110419575
N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide
CID 113252056
N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956762
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 104880332
N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
CID 55611657
3-(4-bromo-2,6-dimethylphenyl)-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 51108212
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide (CID 63939813) is N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide is Cc1cc(Br)cc(C)c1NC(=O)CCC1CCCCO1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide?
The InChIKey is IJHSEWFIRIWESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-11-9-13(17)10-12(2)16(11)18-15(19)7-6-14-5-3-4-8-20-14/h9-10,14H,3-8H2,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide?
N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide has a molecular weight of 340.26 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 63939813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).