2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride

C13H20BrClN2O4 — CID 120988226

IUPAC2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1cc(Br)c(OC)c(OC)c1.Cl
InChIInChI=1S/C13H19BrN2O4.ClH/c1-18-7-10(15)13(17)16-6-8-4-9(14)12(20-3)11(5-8)19-2;/h4-5,10H,6-7,15H2,1-3H3,(H,16,17);1H
InChIKeyGUCBTFLHHQJWPJ-UHFFFAOYSA-N
MW383.67 g/mol
LogP1.48
Rot. Bonds7

About 2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120988226) has the molecular formula C13H20BrClN2O4 and a molecular weight of 383.67 g/mol. Its IUPAC name is 2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
PubChem CID120988226
Molecular FormulaC13H20BrClN2O4
Molecular Weight383.67 g/mol
Exact Mass382.03
IUPAC Name2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1cc(Br)c(OC)c(OC)c1.Cl
InChIInChI=1S/C13H19BrN2O4.ClH/c1-18-7-10(15)13(17)16-6-8-4-9(14)12(20-3)11(5-8)19-2;/h4-5,10H,6-7,15H2,1-3H3,(H,16,17);1H
InChIKeyGUCBTFLHHQJWPJ-UHFFFAOYSA-N
XLogP1.48
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.67
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119312695
3-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-methylbutanamide
CID 120500013
2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272316
(2S)-2-amino-4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119272313
(2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272311
2-amino-2-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119272323
2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120985304
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide
CID 83337824
7-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]heptanamide
CID 119764855
2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide
CID 81089667
2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride
CID 120983886
2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide
CID 120992441

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride (CID 120988226) is 2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NCc1cc(Br)c(OC)c(OC)c1.Cl.
What is the InChIKey of 2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is GUCBTFLHHQJWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O4.ClH/c1-18-7-10(15)13(17)16-6-8-4-9(14)12(20-3)11(5-8)19-2;/h4-5,10H,6-7,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 383.67 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120988226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).