N-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide

C16H25BrN2O — CID 38801147

IUPACN-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(CC(C)C)C(C)C)c(Br)c1
InChIInChI=1S/C16H25BrN2O/c1-11(2)9-19(12(3)4)10-16(20)18-15-7-6-13(5)8-14(15)17/h6-8,11-12H,9-10H2,1-5H3,(H,18,20)
InChIKeyFMWKKTZOXKGJSK-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.06
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide

N-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide (PubChem CID 38801147) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide
PubChem CID38801147
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(CC(C)C)C(C)C)c(Br)c1
InChIInChI=1S/C16H25BrN2O/c1-11(2)9-19(12(3)4)10-16(20)18-15-7-6-13(5)8-14(15)17/h6-8,11-12H,9-10H2,1-5H3,(H,18,20)
InChIKeyFMWKKTZOXKGJSK-UHFFFAOYSA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838636
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide
CID 109031851
N-(2-bromo-4-methylphenyl)-2-(2-methylpropylsulfanyl)acetamide
CID 78760934
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 113000553
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122083120
N'-(2-bromo-4-methylphenyl)-2-methylbutanediamide
CID 82124662
N-(2-bromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964436
N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153680
N-(2-bromo-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 113000579
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302951
N-(2-bromo-4-methylphenyl)-3-phenylbutanamide
CID 47096965

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide (CID 38801147) is N-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide is Cc1ccc(NC(=O)CN(CC(C)C)C(C)C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide?
The InChIKey is FMWKKTZOXKGJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-11(2)9-19(12(3)4)10-16(20)18-15-7-6-13(5)8-14(15)17/h6-8,11-12H,9-10H2,1-5H3,(H,18,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide?
N-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide has a molecular weight of 341.29 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 38801147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).