2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide

C14H18N2O3 — CID 2559188

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NCC(C)C
InChIInChI=1S/C14H18N2O3/c1-10(2)8-16-14(17)9-19-12-5-4-11(7-15)6-13(12)18-3/h4-6,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyPAFVKWZNTLTLJN-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.72
Rot. Bonds6

About 2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide

2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 2559188) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
PubChem CID2559188
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NCC(C)C
InChIInChI=1S/C14H18N2O3/c1-10(2)8-16-14(17)9-19-12-5-4-11(7-15)6-13(12)18-3/h4-6,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyPAFVKWZNTLTLJN-UHFFFAOYSA-N
XLogP1.72
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4-methylpentanoic acid
CID 119252697
2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
CID 8976368
2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
CID 61388717
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 119220599
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249131
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
CID 16783572
2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 16511688
2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7757339
2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43028682
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7757492
2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide
CID 46465537

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide (CID 2559188) is 2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide is COc1cc(C#N)ccc1OCC(=O)NCC(C)C.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide?
The InChIKey is PAFVKWZNTLTLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(2)8-16-14(17)9-19-12-5-4-11(7-15)6-13(12)18-3/h4-6,10H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 1.72, 6 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-methylpropyl)acetamide is sourced from PubChem (CID 2559188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).