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

C21H27NO3 — CID 17341028

IUPACN-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCOc1ccccc1NC(=O)COc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C21H27NO3/c1-5-21(3,4)16-11-13-17(14-12-16)25-15-20(23)22-18-9-7-8-10-19(18)24-6-2/h7-14H,5-6,15H2,1-4H3,(H,22,23)
InChIKeyLFBPTQNLMNEWEC-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.79
Rot. Bonds8

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

N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (PubChem CID 17341028) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
PubChem CID17341028
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCOc1ccccc1NC(=O)COc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C21H27NO3/c1-5-21(3,4)16-11-13-17(14-12-16)25-15-20(23)22-18-9-7-8-10-19(18)24-6-2/h7-14H,5-6,15H2,1-4H3,(H,22,23)
InChIKeyLFBPTQNLMNEWEC-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

N-(2-ethoxyphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 1183545
N-(2-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093259
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328128
N-(2-ethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 727173
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 723516
N-ethyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17093296
N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17098223
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17093269
N-(2-ethoxyphenyl)-2-(3-iodophenoxy)acetamide
CID 7671599
2-(4-bromo-3,5-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1329034
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 17093306

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (CID 17341028) is N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide is CCOc1ccccc1NC(=O)COc1ccc(C(C)(C)CC)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The InChIKey is LFBPTQNLMNEWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-21(3,4)16-11-13-17(14-12-16)25-15-20(23)22-18-9-7-8-10-19(18)24-6-2/h7-14H,5-6,15H2,1-4H3,(H,22,23).
What are the key properties of N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
N-(2-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-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 17341028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).