2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide

C14H16N2O2 — CID 103760377

IUPAC2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
SMILESCc1ccc(C#N)cc1OCC(=O)NCC1CC1
InChIInChI=1S/C14H16N2O2/c1-10-2-3-12(7-15)6-13(10)18-9-14(17)16-8-11-4-5-11/h2-3,6,11H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyPUEHZUBKTBJHEH-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.77
Rot. Bonds5

About 2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide

2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide (PubChem CID 103760377) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
PubChem CID103760377
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
SMILESCc1ccc(C#N)cc1OCC(=O)NCC1CC1
InChIInChI=1S/C14H16N2O2/c1-10-2-3-12(7-15)6-13(10)18-9-14(17)16-8-11-4-5-11/h2-3,6,11H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyPUEHZUBKTBJHEH-UHFFFAOYSA-N
XLogP1.77
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-cyano-2-methylphenoxy)acetohydrazide
CID 107661565
2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 107656363
2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2492539
2-(5-cyano-2-methylphenoxy)-N-phenylacetamide
CID 103760055
2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 103760436
2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide
CID 43520211
2-(2,3-dimethylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106124065
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 102562426
2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 62404558
2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide
CID 102702513
N-[[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 98756181

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide (CID 103760377) is 2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide is Cc1ccc(C#N)cc1OCC(=O)NCC1CC1.
What is the InChIKey of 2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide?
The InChIKey is PUEHZUBKTBJHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-2-3-12(7-15)6-13(10)18-9-14(17)16-8-11-4-5-11/h2-3,6,11H,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of 2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide?
2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide has a molecular weight of 244.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 103760377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).