2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C15H21BrN2O — CID 55439320

IUPAC2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CNc1ccc(Br)cc1C
InChIInChI=1S/C15H21BrN2O/c1-5-18(10-11(2)3)15(19)9-17-14-7-6-13(16)8-12(14)4/h6-8,17H,2,5,9-10H2,1,3-4H3
InChIKeyQVQPAILQUUTLMT-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.59
Rot. Bonds6

About 2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 55439320) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID55439320
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CNc1ccc(Br)cc1C
InChIInChI=1S/C15H21BrN2O/c1-5-18(10-11(2)3)15(19)9-17-14-7-6-13(16)8-12(14)4/h6-8,17H,2,5,9-10H2,1,3-4H3
InChIKeyQVQPAILQUUTLMT-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide
CID 109006671
N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide
CID 134031279
2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 55437543
2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide
CID 28572367
4-bromo-N-ethyl-2-methylaniline
CID 23053407
2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide
CID 43806025
3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide
CID 55910513
2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide
CID 80979820
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide
CID 112699018
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 55315118
2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113166813

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 55439320) is 2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CNc1ccc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is QVQPAILQUUTLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-5-18(10-11(2)3)15(19)9-17-14-7-6-13(16)8-12(14)4/h6-8,17H,2,5,9-10H2,1,3-4H3.
What are the key properties of 2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 325.25 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 55439320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).