2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide

C16H19N3O3 — CID 7203447

IUPAC2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N[C@](C)(C#N)C2CC2)cc1
InChIInChI=1S/C16H19N3O3/c1-11(20)18-13-5-7-14(8-6-13)22-9-15(21)19-16(2,10-17)12-3-4-12/h5-8,12H,3-4,9H2,1-2H3,(H,18,20)(H,19,21)/t16-/m1/s1
InChIKeyIQFQSOGULRBYSX-MRXNPFEDSA-N
MW301.35 g/mol
LogP1.83
Rot. Bonds6

About 2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide

2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide (PubChem CID 7203447) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
PubChem CID7203447
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N[C@](C)(C#N)C2CC2)cc1
InChIInChI=1S/C16H19N3O3/c1-11(20)18-13-5-7-14(8-6-13)22-9-15(21)19-16(2,10-17)12-3-4-12/h5-8,12H,3-4,9H2,1-2H3,(H,18,20)(H,19,21)/t16-/m1/s1
InChIKeyIQFQSOGULRBYSX-MRXNPFEDSA-N
XLogP1.83
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140600
2-(2-acetylphenoxy)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7859288
2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7859290
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983949
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923303
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetamide
CID 94817711
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-nitrophenoxy)acetamide
CID 7865319
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 8912031
2-(3-acetamido-4-methylanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 94630869
2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 47004249
2-(4-acetamidophenoxy)-N-cyclooctylacetamide
CID 112774945

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide?
The IUPAC name of 2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide (CID 7203447) is 2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide is CC(=O)Nc1ccc(OCC(=O)N[C@](C)(C#N)C2CC2)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide?
The InChIKey is IQFQSOGULRBYSX-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(20)18-13-5-7-14(8-6-13)22-9-15(21)19-16(2,10-17)12-3-4-12/h5-8,12H,3-4,9H2,1-2H3,(H,18,20)(H,19,21)/t16-/m1/s1.
What are the key properties of 2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide?
2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 7203447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).