3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide

C11H15BrN2O3 — CID 106113513

IUPAC3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide
SMILESCOc1cc(Br)cc(NC(=O)C(CN)OC)c1
InChIInChI=1S/C11H15BrN2O3/c1-16-9-4-7(12)3-8(5-9)14-11(15)10(6-13)17-2/h3-5,10H,6,13H2,1-2H3,(H,14,15)
InChIKeySKJBKHBJCXOKMG-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.37
Rot. Bonds5

About 3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide

3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide (PubChem CID 106113513) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide
PubChem CID106113513
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide
SMILESCOc1cc(Br)cc(NC(=O)C(CN)OC)c1
InChIInChI=1S/C11H15BrN2O3/c1-16-9-4-7(12)3-8(5-9)14-11(15)10(6-13)17-2/h3-5,10H,6,13H2,1-2H3,(H,14,15)
InChIKeySKJBKHBJCXOKMG-UHFFFAOYSA-N
XLogP1.37
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbutanamide
CID 82868308
3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide
CID 106111011
4-(3-bromo-5-methoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103499054
3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide
CID 114145085
ethyl N-(3-bromo-5-methoxyphenyl)carbamate
CID 82859669
3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide
CID 82867396
(3Z)-3-amino-N-(3-bromo-5-methoxyphenyl)-3-hydroxyimino-2-methylpropanamide
CID 82860752
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide
CID 114145118
3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide
CID 114144862
3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide
CID 114144924
3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide
CID 82868226
1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175722040

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide (CID 106113513) is 3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide is COc1cc(Br)cc(NC(=O)C(CN)OC)c1.
What is the InChIKey of 3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide?
The InChIKey is SKJBKHBJCXOKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-16-9-4-7(12)3-8(5-9)14-11(15)10(6-13)17-2/h3-5,10H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide?
3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide has a molecular weight of 303.16 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide is sourced from PubChem (CID 106113513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).