4-[[2-(3-bromo-4-methylphenyl)acetyl]-methylamino]-N-methylbutanamide

C15H21BrN2O2 — CID 99828399

IUPAC4-[[2-(3-bromo-4-methylphenyl)acetyl]-methylamino]-N-methylbutanamide
SMILESCNC(=O)CCCN(C)C(=O)Cc1ccc(C)c(Br)c1
InChIInChI=1S/C15H21BrN2O2/c1-11-6-7-12(9-13(11)16)10-15(20)18(3)8-4-5-14(19)17-2/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,19)
InChIKeyUNJXNTKRGKSJSP-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.28
Rot. Bonds6

About 4-[[2-(3-bromo-4-methylphenyl)acetyl]-methylamino]-N-methylbutanamide

4-[[2-(3-bromo-4-methylphenyl)acetyl]-methylamino]-N-methylbutanamide (PubChem CID 99828399) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-[[2-(3-bromo-4-methylphenyl)acetyl]-methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[[2-(3-bromo-4-methylphenyl)acetyl]-methylamino]-N-methylbutanamide
PubChem CID99828399
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name4-[[2-(3-bromo-4-methylphenyl)acetyl]-methylamino]-N-methylbutanamide
SMILESCNC(=O)CCCN(C)C(=O)Cc1ccc(C)c(Br)c1
InChIInChI=1S/C15H21BrN2O2/c1-11-6-7-12(9-13(11)16)10-15(20)18(3)8-4-5-14(19)17-2/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,19)
InChIKeyUNJXNTKRGKSJSP-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113339013
N-(3-bromo-4-methylphenyl)-N'-butyl-N'-methylpropanediamide
CID 108952043
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 8503043
1-(azetidin-3-yl)-2-(3-bromo-4-methylphenyl)ethanone
CID 130698613
2-(3-bromo-4-methylphenyl)acetaldehyde
CID 54038789
4-[[2-(4-hydroxyphenyl)acetyl]-methylamino]butanoic acid
CID 43329651
4-[[2-(3,5-dimethylphenyl)acetyl]-methylamino]butanoic acid
CID 110834563
3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
CID 60989072
3-[[2-(4-bromo-2-methylphenyl)acetyl]-methylamino]propanoic acid
CID 120525052
2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113363621
4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid
CID 43240409
3-[(5-bromo-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 113230949

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-bromo-4-methylphenyl)acetyl]-methylamino]-N-methylbutanamide?
The IUPAC name of 4-[[2-(3-bromo-4-methylphenyl)acetyl]-methylamino]-N-methylbutanamide (CID 99828399) is 4-[[2-(3-bromo-4-methylphenyl)acetyl]-methylamino]-N-methylbutanamide.
What is the SMILES notation for 4-[[2-(3-bromo-4-methylphenyl)acetyl]-methylamino]-N-methylbutanamide?
The canonical SMILES for 4-[[2-(3-bromo-4-methylphenyl)acetyl]-methylamino]-N-methylbutanamide is CNC(=O)CCCN(C)C(=O)Cc1ccc(C)c(Br)c1.
What is the InChIKey of 4-[[2-(3-bromo-4-methylphenyl)acetyl]-methylamino]-N-methylbutanamide?
The InChIKey is UNJXNTKRGKSJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-11-6-7-12(9-13(11)16)10-15(20)18(3)8-4-5-14(19)17-2/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,19).
What are the key properties of 4-[[2-(3-bromo-4-methylphenyl)acetyl]-methylamino]-N-methylbutanamide?
4-[[2-(3-bromo-4-methylphenyl)acetyl]-methylamino]-N-methylbutanamide has a molecular weight of 341.25 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-bromo-4-methylphenyl)acetyl]-methylamino]-N-methylbutanamide is sourced from PubChem (CID 99828399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).