2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide

C22H26N2O3 — CID 7757339

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C22H26N2O3/c1-14(2)17-7-6-8-18(15(3)4)22(17)24-21(25)13-27-19-10-9-16(12-23)11-20(19)26-5/h6-11,14-15H,13H2,1-5H3,(H,24,25)
InChIKeyQQWSGQMOJCQCTF-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.83
Rot. Bonds7

About 2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 7757339) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID7757339
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C22H26N2O3/c1-14(2)17-7-6-8-18(15(3)4)22(17)24-21(25)13-27-19-10-9-16(12-23)11-20(19)26-5/h6-11,14-15H,13H2,1-5H3,(H,24,25)
InChIKeyQQWSGQMOJCQCTF-UHFFFAOYSA-N
XLogP4.83
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7757492
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 119220599
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18083217
2-(4-cyano-2-methoxyphenoxy)-N-(4-ethylphenyl)acetamide
CID 2492527
2-(4-cyano-2-methoxyphenoxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 2976145
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
2-(4-cyano-2-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 7252101
2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide
CID 86932038
5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide
CID 41070274
2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 26218567

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 7757339) is 2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide is COc1cc(C#N)ccc1OCC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is QQWSGQMOJCQCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14(2)17-7-6-8-18(15(3)4)22(17)24-21(25)13-27-19-10-9-16(12-23)11-20(19)26-5/h6-11,14-15H,13H2,1-5H3,(H,24,25).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 7757339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).