4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide

C14H20BrNO3 — CID 112705653

IUPAC4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H20BrNO3/c1-11-10-12(4-5-13(11)15)14(17)16(6-8-18-2)7-9-19-3/h4-5,10H,6-9H2,1-3H3
InChIKeyYGVNEJSIZVAICA-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.49
Rot. Bonds7

About 4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide

4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide (PubChem CID 112705653) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
PubChem CID112705653
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H20BrNO3/c1-11-10-12(4-5-13(11)15)14(17)16(6-8-18-2)7-9-19-3/h4-5,10H,6-9H2,1-3H3
InChIKeyYGVNEJSIZVAICA-UHFFFAOYSA-N
XLogP2.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide
CID 115770617
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902316
4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43010416
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide
CID 112706331
3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide
CID 61443550
3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61025267
N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
CID 63287370
4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
CID 63237307
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 115772556
4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide
CID 107074165

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide?
The IUPAC name of 4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide (CID 112705653) is 4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide?
The canonical SMILES for 4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide is COCCN(CCOC)C(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide?
The InChIKey is YGVNEJSIZVAICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-11-10-12(4-5-13(11)15)14(17)16(6-8-18-2)7-9-19-3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide?
4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide has a molecular weight of 330.22 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide is sourced from PubChem (CID 112705653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).