2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

C21H26BrNO3 — CID 100513410

IUPAC2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C21H26BrNO3/c1-14(16-8-6-7-9-18(16)25-5)23-20(24)13-26-19-11-10-15(12-17(19)22)21(2,3)4/h6-12,14H,13H2,1-5H3,(H,23,24)/t14-/m0/s1
InChIKeyBKIDZWUPYXBICI-AWEZNQCLSA-N
MW420.35 g/mol
LogP5.01
Rot. Bonds6

About 2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 100513410) has the molecular formula C21H26BrNO3 and a molecular weight of 420.35 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID100513410
Molecular FormulaC21H26BrNO3
Molecular Weight420.35 g/mol
Exact Mass419.11
IUPAC Name2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C21H26BrNO3/c1-14(16-8-6-7-9-18(16)25-5)23-20(24)13-26-19-11-10-15(12-17(19)22)21(2,3)4/h6-12,14H,13H2,1-5H3,(H,23,24)/t14-/m0/s1
InChIKeyBKIDZWUPYXBICI-AWEZNQCLSA-N
XLogP5.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.35
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 31183674
N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16548373
2-(2-bromo-4-fluorophenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262782
2-(2-ethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144695
2-(2-fluorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719194
2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 40795239
2-(2-bromo-4-tert-butylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150986
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6231272
2-(4-chloro-2-methylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7936549
2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4922415
2-(2-bromo-4-tert-butylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202649
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 27787506

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (CID 100513410) is 2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1[C@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1Br.
What is the InChIKey of 2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is BKIDZWUPYXBICI-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H26BrNO3/c1-14(16-8-6-7-9-18(16)25-5)23-20(24)13-26-19-11-10-15(12-17(19)22)21(2,3)4/h6-12,14H,13H2,1-5H3,(H,23,24)/t14-/m0/s1.
What are the key properties of 2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 420.35 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 100513410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).