2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide

C15H20N2O3 — CID 103566935

IUPAC2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1cc(C#N)cc(OC)c1
InChIInChI=1S/C15H20N2O3/c1-5-15(2,3)17-14(18)10-20-13-7-11(9-16)6-12(8-13)19-4/h6-8H,5,10H2,1-4H3,(H,17,18)
InChIKeyCBWWODUCBBEFGZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.25
Rot. Bonds6

About 2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide

2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 103566935) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
PubChem CID103566935
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1cc(C#N)cc(OC)c1
InChIInChI=1S/C15H20N2O3/c1-5-15(2,3)17-14(18)10-20-13-7-11(9-16)6-12(8-13)19-4/h6-8H,5,10H2,1-4H3,(H,17,18)
InChIKeyCBWWODUCBBEFGZ-UHFFFAOYSA-N
XLogP2.25
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 103566114
dimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate
CID 8886147
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 104704642
N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
CID 9012174
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816
3-methoxy-5-(2-methylidenebutoxy)benzonitrile
CID 103567099
N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 43390489
2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 80604720
5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60693177
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 82002849

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide (CID 103566935) is 2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COc1cc(C#N)cc(OC)c1.
What is the InChIKey of 2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is CBWWODUCBBEFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-5-15(2,3)17-14(18)10-20-13-7-11(9-16)6-12(8-13)19-4/h6-8H,5,10H2,1-4H3,(H,17,18).
What are the key properties of 2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide?
2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 103566935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).