2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide

C13H19BrN2O3 — CID 62473419

IUPAC2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1cccc(Br)c1COC
InChIInChI=1S/C13H19BrN2O3/c1-18-7-6-11(15)13(17)16-12-5-3-4-10(14)9(12)8-19-2/h3-5,11H,6-8,15H2,1-2H3,(H,16,17)
InChIKeyKKIAITMUPXRSKN-UHFFFAOYSA-N
MW331.21 g/mol
LogP1.90
Rot. Bonds7

About 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide

2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide (PubChem CID 62473419) has the molecular formula C13H19BrN2O3 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide
PubChem CID62473419
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Name2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1cccc(Br)c1COC
InChIInChI=1S/C13H19BrN2O3/c1-18-7-6-11(15)13(17)16-12-5-3-4-10(14)9(12)8-19-2/h3-5,11H,6-8,15H2,1-2H3,(H,16,17)
InChIKeyKKIAITMUPXRSKN-UHFFFAOYSA-N
XLogP1.90
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide
CID 81089050
(2R)-2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methylpentanamide
CID 104903215
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]butanediamide
CID 61167372
2-[(2-amino-4-methoxybutanoyl)amino]benzamide
CID 55080862
N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide
CID 63374766
N-[3-bromo-2-(methoxymethyl)phenyl]-3-oxobutanamide
CID 61215647
N-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide
CID 61400591
2-amino-N-(1H-indazol-4-yl)-4-methoxybutanamide
CID 55080535
N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62836118
N-[3-bromo-2-(methoxymethyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933876
2-amino-N-(2,6-dichlorophenyl)-4-methoxybutanamide
CID 65467824
methyl 2-[3-bromo-2-(methoxymethyl)anilino]butanoate
CID 113292588

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide (CID 62473419) is 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide is COCCC(N)C(=O)Nc1cccc(Br)c1COC.
What is the InChIKey of 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide?
The InChIKey is KKIAITMUPXRSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-18-7-6-11(15)13(17)16-12-5-3-4-10(14)9(12)8-19-2/h3-5,11H,6-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide?
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide has a molecular weight of 331.21 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide is sourced from PubChem (CID 62473419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).