2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide

C13H19BrN2O2 — CID 79813242

IUPAC2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(OC)c(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-4-13(15,5-2)12(17)16-9-6-7-11(18-3)10(14)8-9/h6-8H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyGKXDGOYTKRNYII-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.91
Rot. Bonds5

About 2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide

2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide (PubChem CID 79813242) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide
PubChem CID79813242
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(OC)c(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-4-13(15,5-2)12(17)16-9-6-7-11(18-3)10(14)8-9/h6-8H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyGKXDGOYTKRNYII-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79811706
N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 103430147
N-(3-bromo-4-methoxyphenyl)carbamoyl chloride
CID 115194346
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 79809856
N-(4-bromo-3-methoxyphenyl)-2-carbamothioyl-2-methylbutanamide
CID 82867900
1-N-(3-bromo-4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 115135624
2-amino-2-ethyl-N-(3-methoxyphenyl)butanamide
CID 79809500
O-methyl 2-(3-bromo-4-methoxyanilino)-2-oxoethanethioate
CID 139546924
3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119724763
N-(3-bromo-4-methoxyphenyl)-1-cyanoformamide
CID 115171833
2-amino-3-(3-bromo-4-methoxyanilino)-3-oxopropanoic acid
CID 115179084
4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide?
The IUPAC name of 2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide (CID 79813242) is 2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide is CCC(N)(CC)C(=O)Nc1ccc(OC)c(Br)c1.
What is the InChIKey of 2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide?
The InChIKey is GKXDGOYTKRNYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-4-13(15,5-2)12(17)16-9-6-7-11(18-3)10(14)8-9/h6-8H,4-5,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide?
2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide has a molecular weight of 315.21 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide is sourced from PubChem (CID 79813242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).