4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide

C15H21BrN2O3 — CID 115770617

IUPAC4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H21BrN2O3/c1-11-9-12(5-6-13(11)16)15(20)18(7-8-21-4)10-14(19)17(2)3/h5-6,9H,7-8,10H2,1-4H3
InChIKeyYYEJUODRGVPMKH-UHFFFAOYSA-N
MW357.25 g/mol
LogP1.93
Rot. Bonds6

About 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide

4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide (PubChem CID 115770617) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide
PubChem CID115770617
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H21BrN2O3/c1-11-9-12(5-6-13(11)16)15(20)18(7-8-21-4)10-14(19)17(2)3/h5-6,9H,7-8,10H2,1-4H3
InChIKeyYYEJUODRGVPMKH-UHFFFAOYSA-N
XLogP1.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 112705653
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 62681504
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119729862
3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 60775997
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
CID 120623191
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-(dimethylamino)-2-oxoethyl]-3-methylbenzamide
CID 112705694
2-[(4-bromo-2,5-dimethylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 120516157
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549
3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide
CID 61443550
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide?
The IUPAC name of 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide (CID 115770617) is 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide is COCCN(CC(=O)N(C)C)C(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide?
The InChIKey is YYEJUODRGVPMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-11-9-12(5-6-13(11)16)15(20)18(7-8-21-4)10-14(19)17(2)3/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide?
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide has a molecular weight of 357.25 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide is sourced from PubChem (CID 115770617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).