3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide

C12H17BrN2O2 — CID 115180860

IUPAC3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide
SMILESCN(CCc1cccc(Br)c1)C(=O)C(O)CN
InChIInChI=1S/C12H17BrN2O2/c1-15(12(17)11(16)8-14)6-5-9-3-2-4-10(13)7-9/h2-4,7,11,16H,5-6,8,14H2,1H3
InChIKeyOPQBGJOFQGOBBZ-UHFFFAOYSA-N
MW301.18 g/mol
LogP0.77
Rot. Bonds5

About 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide

3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide (PubChem CID 115180860) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide
PubChem CID115180860
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide
SMILESCN(CCc1cccc(Br)c1)C(=O)C(O)CN
InChIInChI=1S/C12H17BrN2O2/c1-15(12(17)11(16)8-14)6-5-9-3-2-4-10(13)7-9/h2-4,7,11,16H,5-6,8,14H2,1H3
InChIKeyOPQBGJOFQGOBBZ-UHFFFAOYSA-N
XLogP0.77
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide
CID 115153894
3-amino-2-hydroxy-N-methyl-N-(2-phenylethyl)propanamide
CID 115180819
3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide
CID 115154426
3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide
CID 115180792
3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 115180822
1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190038
N-[2-(3-bromophenyl)ethyl]-N-methyl-3-sulfanylpropanamide
CID 115168103
N-[2-(3-bromophenyl)ethyl]-2-cyano-N-methylacetamide
CID 82134700
4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide
CID 115157634
3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 115180689
4-amino-1-[2-(3-bromophenyl)ethyl-methylamino]butan-2-ol
CID 117039318
5-[2-(3-bromophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 115163898

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide?
The IUPAC name of 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide (CID 115180860) is 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide?
The canonical SMILES for 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide is CN(CCc1cccc(Br)c1)C(=O)C(O)CN.
What is the InChIKey of 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide?
The InChIKey is OPQBGJOFQGOBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-15(12(17)11(16)8-14)6-5-9-3-2-4-10(13)7-9/h2-4,7,11,16H,5-6,8,14H2,1H3.
What are the key properties of 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide?
3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide has a molecular weight of 301.18 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115180860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).