2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide

C17H24BrNO3 — CID 86805914

IUPAC2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide
SMILESCc1ccc(OC(C)C(=O)N(C)CCC2CCCO2)c(Br)c1
InChIInChI=1S/C17H24BrNO3/c1-12-6-7-16(15(18)11-12)22-13(2)17(20)19(3)9-8-14-5-4-10-21-14/h6-7,11,13-14H,4-5,8-10H2,1-3H3
InChIKeyMCFGZPXVTZAQDT-UHFFFAOYSA-N
MW370.29 g/mol
LogP3.55
Rot. Bonds6

About 2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide

2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide (PubChem CID 86805914) has the molecular formula C17H24BrNO3 and a molecular weight of 370.29 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide
PubChem CID86805914
Molecular FormulaC17H24BrNO3
Molecular Weight370.29 g/mol
Exact Mass369.09
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide
SMILESCc1ccc(OC(C)C(=O)N(C)CCC2CCCO2)c(Br)c1
InChIInChI=1S/C17H24BrNO3/c1-12-6-7-16(15(18)11-12)22-13(2)17(20)19(3)9-8-14-5-4-10-21-14/h6-7,11,13-14H,4-5,8-10H2,1-3H3
InChIKeyMCFGZPXVTZAQDT-UHFFFAOYSA-N
XLogP3.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide
CID 112788528
2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
CID 65161378
3-(2-bromo-4-methylphenyl)-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 51094112
2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 4512257
methyl 2-[2-(2-bromo-4-methylphenoxy)propanoyl-propan-2-ylamino]acetate
CID 78888417
N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956762
1-(2-bromo-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976829
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
3-(2-chloro-5-methylphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 97279208
4-methyl-2-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 65158770
(2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 725864
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide (CID 86805914) is 2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide is Cc1ccc(OC(C)C(=O)N(C)CCC2CCCO2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide?
The InChIKey is MCFGZPXVTZAQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO3/c1-12-6-7-16(15(18)11-12)22-13(2)17(20)19(3)9-8-14-5-4-10-21-14/h6-7,11,13-14H,4-5,8-10H2,1-3H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide?
2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide has a molecular weight of 370.29 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide is sourced from PubChem (CID 86805914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).