N-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide

C16H24BrN3O2 — CID 24507143

IUPACN-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
SMILESCc1ccc(NC(=O)C(C)N(C)CC(=O)NC(C)C)c(Br)c1
InChIInChI=1S/C16H24BrN3O2/c1-10(2)18-15(21)9-20(5)12(4)16(22)19-14-7-6-11(3)8-13(14)17/h6-8,10,12H,9H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyZUMKXFIXNKUCEI-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.54
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide

N-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide (PubChem CID 24507143) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
PubChem CID24507143
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
SMILESCc1ccc(NC(=O)C(C)N(C)CC(=O)NC(C)C)c(Br)c1
InChIInChI=1S/C16H24BrN3O2/c1-10(2)18-15(21)9-20(5)12(4)16(22)19-14-7-6-11(3)8-13(14)17/h6-8,10,12H,9H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyZUMKXFIXNKUCEI-UHFFFAOYSA-N
XLogP2.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46562604
N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24506925
N-(2-bromo-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 113000579
2-[[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 60681587
(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide
CID 9049661
N-(2-bromo-4-methylphenyl)-2-chloropropanamide
CID 18877665
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9049502
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 46561822
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 113000553
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
1-(2-bromo-4-methylphenyl)-3-[(2S)-pentan-2-yl]urea
CID 51928198
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838636

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide (CID 24507143) is N-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide is Cc1ccc(NC(=O)C(C)N(C)CC(=O)NC(C)C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The InChIKey is ZUMKXFIXNKUCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-10(2)18-15(21)9-20(5)12(4)16(22)19-14-7-6-11(3)8-13(14)17/h6-8,10,12H,9H2,1-5H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
N-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide has a molecular weight of 370.29 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide is sourced from PubChem (CID 24507143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).