2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide

C14H16N2O2 — CID 9334701

IUPAC2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
SMILESC[C@@H](NC(=O)COc1cccc(C#N)c1)C1CC1
InChIInChI=1S/C14H16N2O2/c1-10(12-5-6-12)16-14(17)9-18-13-4-2-3-11(7-13)8-15/h2-4,7,10,12H,5-6,9H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyXIXKJQORNGRYHN-SNVBAGLBSA-N
MW244.29 g/mol
LogP1.85
Rot. Bonds5

About 2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide

2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide (PubChem CID 9334701) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
PubChem CID9334701
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
SMILESC[C@@H](NC(=O)COc1cccc(C#N)c1)C1CC1
InChIInChI=1S/C14H16N2O2/c1-10(12-5-6-12)16-14(17)9-18-13-4-2-3-11(7-13)8-15/h2-4,7,10,12H,5-6,9H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyXIXKJQORNGRYHN-SNVBAGLBSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 75800081
2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 9113198
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide
CID 7964571
N-(1-cyclopropylethyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47117041
N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide
CID 7964489
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018333
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018334
2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 51286906
3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide
CID 51547056
3-cyano-N-[(1R)-1-cyclopropylethyl]benzamide
CID 51547055
methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate
CID 34140038
2-(6-acetylnaphthalen-2-yl)oxy-N-(1-cyclopropylethyl)acetamide
CID 71863242

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide (CID 9334701) is 2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide is C[C@@H](NC(=O)COc1cccc(C#N)c1)C1CC1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide?
The InChIKey is XIXKJQORNGRYHN-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(12-5-6-12)16-14(17)9-18-13-4-2-3-11(7-13)8-15/h2-4,7,10,12H,5-6,9H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide?
2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide has a molecular weight of 244.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 9334701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).