2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide

C21H24BrNO4 — CID 40965378

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c(Br)c1
InChIInChI=1S/C21H24BrNO4/c1-2-15-5-10-20(19(22)12-15)27-14-21(24)23-16-6-8-17(9-7-16)26-13-18-4-3-11-25-18/h5-10,12,18H,2-4,11,13-14H2,1H3,(H,23,24)/t18-/m0/s1
InChIKeySJYNLTDTZHPKKM-SFHVURJKSA-N
MW434.33 g/mol
LogP4.59
Rot. Bonds8

About 2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide

2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide (PubChem CID 40965378) has the molecular formula C21H24BrNO4 and a molecular weight of 434.33 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
PubChem CID40965378
Molecular FormulaC21H24BrNO4
Molecular Weight434.33 g/mol
Exact Mass433.09
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c(Br)c1
InChIInChI=1S/C21H24BrNO4/c1-2-15-5-10-20(19(22)12-15)27-14-21(24)23-16-6-8-17(9-7-16)26-13-18-4-3-11-25-18/h5-10,12,18H,2-4,11,13-14H2,1H3,(H,23,24)/t18-/m0/s1
InChIKeySJYNLTDTZHPKKM-SFHVURJKSA-N
XLogP4.59
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 40796730
cyclohexyl 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]benzoate
CID 19201882
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957861
2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957867
2-(3,4-dimethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295499
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957983
2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 17130580
3-bromo-4-(oxolan-2-ylmethoxy)-N-[4-(propanoylamino)phenyl]benzamide
CID 17204952
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
2-naphthalen-2-yloxy-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295169

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide (CID 40965378) is 2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide is CCc1ccc(OCC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The InChIKey is SJYNLTDTZHPKKM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24BrNO4/c1-2-15-5-10-20(19(22)12-15)27-14-21(24)23-16-6-8-17(9-7-16)26-13-18-4-3-11-25-18/h5-10,12,18H,2-4,11,13-14H2,1H3,(H,23,24)/t18-/m0/s1.
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide has a molecular weight of 434.33 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 40965378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).