N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide

C21H24N2O3 — CID 7993191

IUPACN-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H24N2O3/c1-5-25-19-12-15(13-22)6-11-18(19)26-14-20(24)23-17-9-7-16(8-10-17)21(2,3)4/h6-12H,5,14H2,1-4H3,(H,23,24)
InChIKeyNFUXSXNANGVCIK-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.27
Rot. Bonds6

About N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide

N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide (PubChem CID 7993191) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
PubChem CID7993191
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H24N2O3/c1-5-25-19-12-15(13-22)6-11-18(19)26-14-20(24)23-17-9-7-16(8-10-17)21(2,3)4/h6-12H,5,14H2,1-4H3,(H,23,24)
InChIKeyNFUXSXNANGVCIK-UHFFFAOYSA-N
XLogP4.27
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7914312
2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253821
N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 46421737
2-(4-cyano-2-methoxyphenoxy)-N-(4-ethylphenyl)acetamide
CID 2492527
2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9355977
3-[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]-N-ethylbenzamide
CID 8561169
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 55309601
N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide
CID 27006212
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 27287293
2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 7993287
2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 7992848
N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993139

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide (CID 7993191) is N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide is CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide?
The InChIKey is NFUXSXNANGVCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-5-25-19-12-15(13-22)6-11-18(19)26-14-20(24)23-17-9-7-16(8-10-17)21(2,3)4/h6-12H,5,14H2,1-4H3,(H,23,24).
What are the key properties of N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide?
N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide has a molecular weight of 352.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 7993191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).