3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide

C14H20BrNO3 — CID 54993578

IUPAC3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
SMILESCOCC(O)CN(C)C(=O)CCc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO3/c1-16(9-13(17)10-19-2)14(18)7-6-11-4-3-5-12(15)8-11/h3-5,8,13,17H,6-7,9-10H2,1-2H3
InChIKeyNTOLWTWYZAKNQI-UHFFFAOYSA-N
MW330.22 g/mol
LogP1.85
Rot. Bonds7

About 3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide

3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide (PubChem CID 54993578) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
PubChem CID54993578
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
SMILESCOCC(O)CN(C)C(=O)CCc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO3/c1-16(9-13(17)10-19-2)14(18)7-6-11-4-3-5-12(15)8-11/h3-5,8,13,17H,6-7,9-10H2,1-2H3
InChIKeyNTOLWTWYZAKNQI-UHFFFAOYSA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 112792574
2-[3-(3-bromophenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 62817750
3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide
CID 95972002
methyl 4-[(3-bromophenyl)methyl-methylamino]-4-oxobutanoate
CID 94721985
N-[2-(3-bromophenyl)ethyl]-N-methyl-3-sulfanylpropanamide
CID 115168103
ethyl (2R)-5-(3-bromophenyl)-2-methyl-3-oxopentanoate
CID 129395805
2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877038
2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide
CID 80665086
1-(3-bromophenyl)-4-methylpentan-3-one
CID 43175847
5-[2-(3-bromophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 115163898
5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid
CID 115122814
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
CID 54993634

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide?
The IUPAC name of 3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide (CID 54993578) is 3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide is COCC(O)CN(C)C(=O)CCc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide?
The InChIKey is NTOLWTWYZAKNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-16(9-13(17)10-19-2)14(18)7-6-11-4-3-5-12(15)8-11/h3-5,8,13,17H,6-7,9-10H2,1-2H3.
What are the key properties of 3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide?
3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide has a molecular weight of 330.22 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide is sourced from PubChem (CID 54993578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).