2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide

C15H22BrN3O2 — CID 9302951

IUPAC2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C15H22BrN3O2/c1-4-7-17-14(20)9-19(3)10-15(21)18-13-6-5-11(2)8-12(13)16/h5-6,8H,4,7,9-10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyCLCWVGGJQSTPHX-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.15
Rot. Bonds7

About 2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide

2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide (PubChem CID 9302951) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
PubChem CID9302951
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C15H22BrN3O2/c1-4-7-17-14(20)9-19(3)10-15(21)18-13-6-5-11(2)8-12(13)16/h5-6,8H,4,7,9-10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyCLCWVGGJQSTPHX-UHFFFAOYSA-N
XLogP2.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-bromo-4-methylphenyl)-N-propylpropanediamide
CID 108940742
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302865
N-(2-bromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964436
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302840
N'-(2-bromo-4-methylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943932
N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 27204786
3-(2-bromo-4-methylanilino)-N-propylpropanamide
CID 109011445
2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide
CID 9302823
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054511
(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide
CID 51928325
2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide
CID 113177979

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide (CID 9302951) is 2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)CC(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of 2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The InChIKey is CLCWVGGJQSTPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-4-7-17-14(20)9-19(3)10-15(21)18-13-6-5-11(2)8-12(13)16/h5-6,8H,4,7,9-10H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide has a molecular weight of 356.26 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 9302951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).