2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide

C14H18N2O3 — CID 103760436

IUPAC2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1cc(C#N)ccc1C
InChIInChI=1S/C14H18N2O3/c1-10-4-5-12(7-15)6-13(10)19-9-14(17)16-11(2)8-18-3/h4-6,11H,8-9H2,1-3H3,(H,16,17)
InChIKeyDQAYQXFYSDWYHI-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.40
Rot. Bonds6

About 2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide

2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 103760436) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID103760436
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1cc(C#N)ccc1C
InChIInChI=1S/C14H18N2O3/c1-10-4-5-12(7-15)6-13(10)19-9-14(17)16-11(2)8-18-3/h4-6,11H,8-9H2,1-3H3,(H,16,17)
InChIKeyDQAYQXFYSDWYHI-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 65472855
2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 9113198
2-(5-cyano-2-methylphenoxy)acetohydrazide
CID 107661565
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 119220599
4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 107673588
2-(5-cyano-2-methylphenoxy)-N-phenylacetamide
CID 103760055
2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 103760377
2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 60701152
2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide
CID 46465537
2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031567
N-[(2R)-1-methoxypropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832745

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide (CID 103760436) is 2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)COc1cc(C#N)ccc1C.
What is the InChIKey of 2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is DQAYQXFYSDWYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-4-5-12(7-15)6-13(10)19-9-14(17)16-11(2)8-18-3/h4-6,11H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 103760436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).