2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide

C18H22N2O3 — CID 95788640

IUPAC2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)N[C@@H](C#N)C2CCCCC2)c1
InChIInChI=1S/C18H22N2O3/c1-13(21)15-8-5-9-16(10-15)23-12-18(22)20-17(11-19)14-6-3-2-4-7-14/h5,8-10,14,17H,2-4,6-7,12H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyGIVUNFRLVDBPMF-KRWDZBQOSA-N
MW314.39 g/mol
LogP2.86
Rot. Bonds6

About 2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide

2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide (PubChem CID 95788640) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide
PubChem CID95788640
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)N[C@@H](C#N)C2CCCCC2)c1
InChIInChI=1S/C18H22N2O3/c1-13(21)15-8-5-9-16(10-15)23-12-18(22)20-17(11-19)14-6-3-2-4-7-14/h5,8-10,14,17H,2-4,6-7,12H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyGIVUNFRLVDBPMF-KRWDZBQOSA-N
XLogP2.86
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide (CID 95788640) is 2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide is CC(=O)c1cccc(OCC(=O)N[C@@H](C#N)C2CCCCC2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide?
The InChIKey is GIVUNFRLVDBPMF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(21)15-8-5-9-16(10-15)23-12-18(22)20-17(11-19)14-6-3-2-4-7-14/h5,8-10,14,17H,2-4,6-7,12H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of 2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide?
2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide is sourced from PubChem (CID 95788640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).