2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide

C20H24BrNO3 — CID 55584253

IUPAC2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
SMILESCC(C)OCc1ccccc1CNC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C20H24BrNO3/c1-14(2)24-13-17-7-5-4-6-16(17)12-22-20(23)15(3)25-19-10-8-18(21)9-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,22,23)
InChIKeyVYAOIFBIOKAMIA-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.46
Rot. Bonds8

About 2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide

2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide (PubChem CID 55584253) has the molecular formula C20H24BrNO3 and a molecular weight of 406.32 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
PubChem CID55584253
Molecular FormulaC20H24BrNO3
Molecular Weight406.32 g/mol
Exact Mass405.09
IUPAC Name2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
SMILESCC(C)OCc1ccccc1CNC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C20H24BrNO3/c1-14(2)24-13-17-7-5-4-6-16(17)12-22-20(23)15(3)25-19-10-8-18(21)9-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,22,23)
InChIKeyVYAOIFBIOKAMIA-UHFFFAOYSA-N
XLogP4.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 84929552
2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133217264
2-(4-bromophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 43017424
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 46599023
N-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenoxy)propanamide
CID 56983513
(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800
2-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 46807295
2-(4-methoxyphenyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 38555944
2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
CID 55596800
2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433897
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide (CID 55584253) is 2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide is CC(C)OCc1ccccc1CNC(=O)C(C)Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The InChIKey is VYAOIFBIOKAMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO3/c1-14(2)24-13-17-7-5-4-6-16(17)12-22-20(23)15(3)25-19-10-8-18(21)9-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide has a molecular weight of 406.32 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55584253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).