N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide

C15H21BrN2O3 — CID 108959594

IUPACN-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
SMILESCOCCNC(=O)C(C)(C)C(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C15H21BrN2O3/c1-10-9-11(5-6-12(10)16)18-14(20)15(2,3)13(19)17-7-8-21-4/h5-6,9H,7-8H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyJTRGHUPFRHBDFD-UHFFFAOYSA-N
MW357.25 g/mol
LogP2.48
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide

N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide (PubChem CID 108959594) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
PubChem CID108959594
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC NameN-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
SMILESCOCCNC(=O)C(C)(C)C(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C15H21BrN2O3/c1-10-9-11(5-6-12(10)16)18-14(20)15(2,3)13(19)17-7-8-21-4/h5-6,9H,7-8H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyJTRGHUPFRHBDFD-UHFFFAOYSA-N
XLogP2.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967197
N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide
CID 108965903
N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959609
N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide
CID 108984242
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62834851
N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959754
N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364774
2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 109251455
N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959753
N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 113197625

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide (CID 108959594) is N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide is COCCNC(=O)C(C)(C)C(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide?
The InChIKey is JTRGHUPFRHBDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-10-9-11(5-6-12(10)16)18-14(20)15(2,3)13(19)17-7-8-21-4/h5-6,9H,7-8H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide?
N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide has a molecular weight of 357.25 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108959594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).