2-(3-bromophenoxy)-N,N-dipropylacetamide

C14H20BrNO2 — CID 112977337

IUPAC2-(3-bromophenoxy)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)COc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-3-8-16(9-4-2)14(17)11-18-13-7-5-6-12(15)10-13/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyGPCHULFZKYNEIZ-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.48
Rot. Bonds7

About 2-(3-bromophenoxy)-N,N-dipropylacetamide

2-(3-bromophenoxy)-N,N-dipropylacetamide (PubChem CID 112977337) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N,N-dipropylacetamide
PubChem CID112977337
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(3-bromophenoxy)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)COc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-3-8-16(9-4-2)14(17)11-18-13-7-5-6-12(15)10-13/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyGPCHULFZKYNEIZ-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide
CID 71326234
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
3-[[2-(3-bromophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119189919
3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide
CID 55348926
2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide
CID 61488607
2-(3-bromophenoxy)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691544
3-[[2-(3-bromophenoxy)acetyl]-ethylamino]butanoic acid
CID 62821216
N,N-dibutyl-2-phenoxyacetamide
CID 4074500
1-bromo-3-ethoxybenzene;ethane
CID 143900364
sodium 2-(3-bromophenoxy)acetate
CID 19205570
2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide
CID 60694299
2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
CID 112995769

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N,N-dipropylacetamide?
The IUPAC name of 2-(3-bromophenoxy)-N,N-dipropylacetamide (CID 112977337) is 2-(3-bromophenoxy)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N,N-dipropylacetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N,N-dipropylacetamide is CCCN(CCC)C(=O)COc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N,N-dipropylacetamide?
The InChIKey is GPCHULFZKYNEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-8-16(9-4-2)14(17)11-18-13-7-5-6-12(15)10-13/h5-7,10H,3-4,8-9,11H2,1-2H3.
What are the key properties of 2-(3-bromophenoxy)-N,N-dipropylacetamide?
2-(3-bromophenoxy)-N,N-dipropylacetamide has a molecular weight of 314.22 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N,N-dipropylacetamide is sourced from PubChem (CID 112977337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).