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

C12H17BrN2O3 — CID 81089050

IUPAC2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide
SMILESCOCc1c(Br)cccc1NC(=O)C(N)COC
InChIInChI=1S/C12H17BrN2O3/c1-17-6-8-9(13)4-3-5-11(8)15-12(16)10(14)7-18-2/h3-5,10H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyGDSPWGZIDUEPNW-UHFFFAOYSA-N
MW317.18 g/mol
LogP1.51
Rot. Bonds6

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

2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide (PubChem CID 81089050) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide
PubChem CID81089050
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide
SMILESCOCc1c(Br)cccc1NC(=O)C(N)COC
InChIInChI=1S/C12H17BrN2O3/c1-17-6-8-9(13)4-3-5-11(8)15-12(16)10(14)7-18-2/h3-5,10H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyGDSPWGZIDUEPNW-UHFFFAOYSA-N
XLogP1.51
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide
CID 62473419
(2R)-2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methylpentanamide
CID 104903215
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]butanediamide
CID 61167372
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]-2-(ethylamino)-2-methylpropanamide
CID 62836118
2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
CID 81088004
N-[3-bromo-2-(methoxymethyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933876
methyl 2-[3-bromo-2-(methoxymethyl)anilino]butanoate
CID 113292588
methyl 2-bromo-3-[3-bromo-2-(methoxymethyl)anilino]propanoate
CID 103242753
N-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide
CID 61400591
N-[3-bromo-2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 60616505

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide (CID 81089050) is 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide is COCc1c(Br)cccc1NC(=O)C(N)COC.
What is the InChIKey of 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide?
The InChIKey is GDSPWGZIDUEPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-17-6-8-9(13)4-3-5-11(8)15-12(16)10(14)7-18-2/h3-5,10H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide?
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide has a molecular weight of 317.18 g/mol, XLogP of 1.51, 6 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]-3-methoxypropanamide is sourced from PubChem (CID 81089050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).