N-(3-bromo-4-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

C16H24BrN3O2 — CID 8906754

IUPACN-(3-bromo-4-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(C)c(Br)c1)CC(=O)NC(C)C
InChIInChI=1S/C16H24BrN3O2/c1-5-20(9-15(21)18-11(2)3)10-16(22)19-13-7-6-12(4)14(17)8-13/h6-8,11H,5,9-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyJAKSHLIWBBEWDY-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.54
Rot. Bonds7

About N-(3-bromo-4-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

N-(3-bromo-4-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (PubChem CID 8906754) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
PubChem CID8906754
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC NameN-(3-bromo-4-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(C)c(Br)c1)CC(=O)NC(C)C
InChIInChI=1S/C16H24BrN3O2/c1-5-20(9-15(21)18-11(2)3)10-16(22)19-13-7-6-12(4)14(17)8-13/h6-8,11H,5,9-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyJAKSHLIWBBEWDY-UHFFFAOYSA-N
XLogP2.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 8906546
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 8907377
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 39895252
3-(3-bromo-4-methylanilino)-N-propan-2-ylpropanamide
CID 63333816
N-(4-acetamidophenyl)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779925
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8906928
2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8906855
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-phenyldiazenylphenyl)acetamide
CID 8907332
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
N-(4-bromo-2-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 2549434
N-(3-bromo-4-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 63334817
N-(3-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376006

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (CID 8906754) is N-(3-bromo-4-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is CCN(CC(=O)Nc1ccc(C)c(Br)c1)CC(=O)NC(C)C.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The InChIKey is JAKSHLIWBBEWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-5-20(9-15(21)18-11(2)3)10-16(22)19-13-7-6-12(4)14(17)8-13/h6-8,11H,5,9-10H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
N-(3-bromo-4-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide has a molecular weight of 370.29 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is sourced from PubChem (CID 8906754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).