2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide

C14H20BrNO3 — CID 111695569

IUPAC2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide
SMILESCC(O)CCN(C)C(=O)C(C)Oc1ccccc1Br
InChIInChI=1S/C14H20BrNO3/c1-10(17)8-9-16(3)14(18)11(2)19-13-7-5-4-6-12(13)15/h4-7,10-11,17H,8-9H2,1-3H3
InChIKeyJIMKZDFJYOKNBV-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.45
Rot. Bonds6

About 2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide

2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide (PubChem CID 111695569) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide
PubChem CID111695569
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide
SMILESCC(O)CCN(C)C(=O)C(C)Oc1ccccc1Br
InChIInChI=1S/C14H20BrNO3/c1-10(17)8-9-16(3)14(18)11(2)19-13-7-5-4-6-12(13)15/h4-7,10-11,17H,8-9H2,1-3H3
InChIKeyJIMKZDFJYOKNBV-UHFFFAOYSA-N
XLogP2.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride
CID 119583700
N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 119659098
2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid
CID 119205657
N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride
CID 119384173
N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide
CID 111695707
3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695920
3-[2-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989868
3-[2-(2-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989857
2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119502634
N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 111695957
3-bromo-N-(3-hydroxybutyl)-4-methoxy-N-methylbenzamide
CID 113254689
2-ethoxy-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695628

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide (CID 111695569) is 2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide is CC(O)CCN(C)C(=O)C(C)Oc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide?
The InChIKey is JIMKZDFJYOKNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-10(17)8-9-16(3)14(18)11(2)19-13-7-5-4-6-12(13)15/h4-7,10-11,17H,8-9H2,1-3H3.
What are the key properties of 2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide?
2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide has a molecular weight of 330.22 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide is sourced from PubChem (CID 111695569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).