3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide

C15H23BrN2O3 — CID 103839832

IUPAC3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
SMILESCN(C)CC(C)(O)CNC(=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O3/c1-15(20,11-18(2)3)10-17-14(19)8-9-21-13-6-4-12(16)5-7-13/h4-7,20H,8-11H2,1-3H3,(H,17,19)
InChIKeyOOMIEOSZEQOTRN-UHFFFAOYSA-N
MW359.26 g/mol
LogP1.65
Rot. Bonds8

About 3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide

3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide (PubChem CID 103839832) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
PubChem CID103839832
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
SMILESCN(C)CC(C)(O)CNC(=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O3/c1-15(20,11-18(2)3)10-17-14(19)8-9-21-13-6-4-12(16)5-7-13/h4-7,20H,8-11H2,1-3H3,(H,17,19)
InChIKeyOOMIEOSZEQOTRN-UHFFFAOYSA-N
XLogP1.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide
CID 103839738
3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103825257
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide
CID 103839511
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 113322189
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
CID 103839704
3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65103759
3-(4-bromophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43427786
3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79381735
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide
CID 103840031
2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 103839864
3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66178943
3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide
CID 47438875

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide?
The IUPAC name of 3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide (CID 103839832) is 3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide.
What is the SMILES notation for 3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide?
The canonical SMILES for 3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide is CN(C)CC(C)(O)CNC(=O)CCOc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide?
The InChIKey is OOMIEOSZEQOTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-15(20,11-18(2)3)10-17-14(19)8-9-21-13-6-4-12(16)5-7-13/h4-7,20H,8-11H2,1-3H3,(H,17,19).
What are the key properties of 3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide?
3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide has a molecular weight of 359.26 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide is sourced from PubChem (CID 103839832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).