N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide

C21H27NO3 — CID 17098223

IUPACN-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCOc1cccc(NC(=O)COc2ccc(C(C)(C)CC)cc2)c1
InChIInChI=1S/C21H27NO3/c1-5-21(3,4)16-10-12-18(13-11-16)25-15-20(23)22-17-8-7-9-19(14-17)24-6-2/h7-14H,5-6,15H2,1-4H3,(H,22,23)
InChIKeySCHJLLDUSYNDLV-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.79
Rot. Bonds8

About N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide

N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (PubChem CID 17098223) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
PubChem CID17098223
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCOc1cccc(NC(=O)COc2ccc(C(C)(C)CC)cc2)c1
InChIInChI=1S/C21H27NO3/c1-5-21(3,4)16-10-12-18(13-11-16)25-15-20(23)22-17-8-7-9-19(14-17)24-6-2/h7-14H,5-6,15H2,1-4H3,(H,22,23)
InChIKeySCHJLLDUSYNDLV-UHFFFAOYSA-N
XLogP4.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 17093314
N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093218
N-methyl-3-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17233162
2-(2,4-ditert-butylphenoxy)-N-(3-ethoxyphenyl)acetamide
CID 17098209
N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093194
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 17093306
N-(4-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093193
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17341028
3-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167940
2-ethoxy-N-(3-ethoxyphenyl)acetamide
CID 61062065

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The IUPAC name of N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (CID 17098223) is N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide is CCOc1cccc(NC(=O)COc2ccc(C(C)(C)CC)cc2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The InChIKey is SCHJLLDUSYNDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-21(3,4)16-10-12-18(13-11-16)25-15-20(23)22-17-8-7-9-19(14-17)24-6-2/h7-14H,5-6,15H2,1-4H3,(H,22,23).
What are the key properties of N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide has a molecular weight of 341.45 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 17098223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).