N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide

C13H18BrNO2 — CID 60629006

IUPACN-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2/c1-3-4-13(16)15(2)9-10-17-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyNRDVBZFMSHEBRY-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.09
Rot. Bonds6

About N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide

N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide (PubChem CID 60629006) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
PubChem CID60629006
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2/c1-3-4-13(16)15(2)9-10-17-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyNRDVBZFMSHEBRY-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide
CID 56827978
N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 27811332
(2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide
CID 93367597
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide
CID 112793922
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpentanamide
CID 60937668
N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide
CID 29235706
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
CID 61266801
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79381735
2-[3-(4-bromophenoxy)propanoyl-propylamino]acetic acid
CID 61008318

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide (CID 60629006) is N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide is CCCC(=O)N(C)CCOc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide?
The InChIKey is NRDVBZFMSHEBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-3-4-13(16)15(2)9-10-17-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide?
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide has a molecular weight of 300.20 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide is sourced from PubChem (CID 60629006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).