2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide

C13H19BrN2O2 — CID 107574238

IUPAC2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C13H19BrN2O2/c1-8-6-10(7-9(2)12(8)14)16-13(17)11(15)4-5-18-3/h6-7,11H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyKPIJABZTAGOGBJ-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.37
Rot. Bonds5

About 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide

2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide (PubChem CID 107574238) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide
PubChem CID107574238
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C13H19BrN2O2/c1-8-6-10(7-9(2)12(8)14)16-13(17)11(15)4-5-18-3/h6-7,11H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyKPIJABZTAGOGBJ-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide
CID 63334647
4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid
CID 62476287
5-[(2-amino-4-methoxybutanoyl)amino]benzene-1,3-dicarboxylic acid
CID 62475221
(2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide
CID 107574322
2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide
CID 79734820
2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
CID 62472832
2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide
CID 62474980
4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide
CID 55080716
methyl 3-[(2-amino-4-methoxybutanoyl)amino]benzoate
CID 62475767
N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide
CID 107575057
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide
CID 55080527

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide (CID 107574238) is 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide is COCCC(N)C(=O)Nc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide?
The InChIKey is KPIJABZTAGOGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-8-6-10(7-9(2)12(8)14)16-13(17)11(15)4-5-18-3/h6-7,11H,4-5,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide?
2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide has a molecular weight of 315.21 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide is sourced from PubChem (CID 107574238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).