2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide

C16H18N2O3 — CID 7859290

IUPAC2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
SMILESCC(=O)c1ccccc1OCC(=O)N[C@](C)(C#N)C1CC1
InChIInChI=1S/C16H18N2O3/c1-11(19)13-5-3-4-6-14(13)21-9-15(20)18-16(2,10-17)12-7-8-12/h3-6,12H,7-9H2,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyORBZAKOKIKIOFG-MRXNPFEDSA-N
MW286.33 g/mol
LogP2.08
Rot. Bonds6

About 2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide

2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide (PubChem CID 7859290) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound Name2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
PubChem CID7859290
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
SMILESCC(=O)c1ccccc1OCC(=O)N[C@](C)(C#N)C1CC1
InChIInChI=1S/C16H18N2O3/c1-11(19)13-5-3-4-6-14(13)21-9-15(20)18-16(2,10-17)12-7-8-12/h3-6,12H,7-9H2,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyORBZAKOKIKIOFG-MRXNPFEDSA-N
XLogP2.08
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetylphenoxy)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7859288
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-methoxybenzoate
CID 7811616
N-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-3-nitrophenoxy)acetamide
CID 47058585
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 7439534
2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 47004249
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7750033
2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7203447
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-anilinobenzoate
CID 7781800
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8857232
2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide
CID 24701029
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191540
N-(1-cyano-1-cyclopropylethyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 47771874

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide?
The IUPAC name of 2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide (CID 7859290) is 2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide.
What is the SMILES notation for 2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide?
The canonical SMILES for 2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide is CC(=O)c1ccccc1OCC(=O)N[C@](C)(C#N)C1CC1.
What is the InChIKey of 2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide?
The InChIKey is ORBZAKOKIKIOFG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(19)13-5-3-4-6-14(13)21-9-15(20)18-16(2,10-17)12-7-8-12/h3-6,12H,7-9H2,1-2H3,(H,18,20)/t16-/m1/s1.
What are the key properties of 2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide?
2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide has a molecular weight of 286.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 7859290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).