2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide

C14H20BrNO4 — CID 62379921

IUPAC2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1ccc(Br)cc1C(C)O
InChIInChI=1S/C14H20BrNO4/c1-9(7-19-3)16-14(18)8-20-13-5-4-11(15)6-12(13)10(2)17/h4-6,9-10,17H,7-8H2,1-3H3,(H,16,18)
InChIKeyHKAZGVRNAUSTAR-UHFFFAOYSA-N
MW346.22 g/mol
LogP2.03
Rot. Bonds7

About 2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide

2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 62379921) has the molecular formula C14H20BrNO4 and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID62379921
Molecular FormulaC14H20BrNO4
Molecular Weight346.22 g/mol
Exact Mass345.06
IUPAC Name2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1ccc(Br)cc1C(C)O
InChIInChI=1S/C14H20BrNO4/c1-9(7-19-3)16-14(18)8-20-13-5-4-11(15)6-12(13)10(2)17/h4-6,9-10,17H,7-8H2,1-3H3,(H,16,18)
InChIKeyHKAZGVRNAUSTAR-UHFFFAOYSA-N
XLogP2.03
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 62392944
2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 18161002
methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate
CID 63365900
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-propylacetamide
CID 63365818
2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylacetamide
CID 55068634
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63365838
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63367325
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 78932283
2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide
CID 112779251
(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564070
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 115401934

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide (CID 62379921) is 2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)COc1ccc(Br)cc1C(C)O.
What is the InChIKey of 2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is HKAZGVRNAUSTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO4/c1-9(7-19-3)16-14(18)8-20-13-5-4-11(15)6-12(13)10(2)17/h4-6,9-10,17H,7-8H2,1-3H3,(H,16,18).
What are the key properties of 2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide?
2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 346.22 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 62379921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).