2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide

C16H23BrN2O4 — CID 653263

IUPAC2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNCC2CCCO2)cc(Br)c1OCC(N)=O
InChIInChI=1S/C16H23BrN2O4/c1-2-21-14-7-11(8-19-9-12-4-3-5-22-12)6-13(17)16(14)23-10-15(18)20/h6-7,12,19H,2-5,8-10H2,1H3,(H2,18,20)
InChIKeyXYPFORSLNGEMME-UHFFFAOYSA-N
MW387.27 g/mol
LogP1.98
Rot. Bonds9

About 2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide

2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide (PubChem CID 653263) has the molecular formula C16H23BrN2O4 and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide
PubChem CID653263
Molecular FormulaC16H23BrN2O4
Molecular Weight387.27 g/mol
Exact Mass386.08
IUPAC Name2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNCC2CCCO2)cc(Br)c1OCC(N)=O
InChIInChI=1S/C16H23BrN2O4/c1-2-21-14-7-11(8-19-9-12-4-3-5-22-12)6-13(17)16(14)23-10-15(18)20/h6-7,12,19H,2-5,8-10H2,1H3,(H2,18,20)
InChIKeyXYPFORSLNGEMME-UHFFFAOYSA-N
XLogP1.98
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290905
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide
CID 4716458
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 4717413
2-[2-bromo-6-ethoxy-4-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 4722322
2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide
CID 4721754
N-[[3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43622329
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 17290255
N-tert-butyl-2-[2-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17290299
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 27004214
2-[4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-bromo-6-ethoxyphenoxy]acetamide;dihydrochloride
CID 17159140
2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide
CID 4721368
2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 6473357

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide (CID 653263) is 2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide is CCOc1cc(CNCC2CCCO2)cc(Br)c1OCC(N)=O.
What is the InChIKey of 2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide?
The InChIKey is XYPFORSLNGEMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O4/c1-2-21-14-7-11(8-19-9-12-4-3-5-22-12)6-13(17)16(14)23-10-15(18)20/h6-7,12,19H,2-5,8-10H2,1H3,(H2,18,20).
What are the key properties of 2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide?
2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide has a molecular weight of 387.27 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 653263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).