2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide

C13H19BrN2O3 — CID 107738006

IUPAC2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NCc1cc(Br)ccc1O
InChIInChI=1S/C13H19BrN2O3/c1-9(13(18)15-5-6-19-2)16-8-10-7-11(14)3-4-12(10)17/h3-4,7,9,16-17H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyHQXLHHLOZXUBKF-UHFFFAOYSA-N
MW331.21 g/mol
LogP1.40
Rot. Bonds7

About 2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide

2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 107738006) has the molecular formula C13H19BrN2O3 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide
PubChem CID107738006
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Name2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NCc1cc(Br)ccc1O
InChIInChI=1S/C13H19BrN2O3/c1-9(13(18)15-5-6-19-2)16-8-10-7-11(14)3-4-12(10)17/h3-4,7,9,16-17H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyHQXLHHLOZXUBKF-UHFFFAOYSA-N
XLogP1.40
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(5-bromo-2-hydroxyphenyl)methylamino]propanoic acid
CID 102222171
2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 105401683
2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide
CID 43399003
N-(2-methoxyethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43087566
4-bromo-2-[(2-propan-2-yloxyethylamino)methyl]phenol
CID 104588373
2-[(2-bromo-5-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 61017027
3-chloro-4-[[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 102665012
N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide
CID 43086931
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81359885
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 43088984
2-[(4-bromo-2-chlorophenyl)methylamino]-N-propylpropanamide
CID 113242861
N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 62056243

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide (CID 107738006) is 2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)NCc1cc(Br)ccc1O.
What is the InChIKey of 2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is HQXLHHLOZXUBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-9(13(18)15-5-6-19-2)16-8-10-7-11(14)3-4-12(10)17/h3-4,7,9,16-17H,5-6,8H2,1-2H3,(H,15,18).
What are the key properties of 2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 331.21 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 107738006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).