N-[(Z)-1-cyanoprop-1-en-2-yl]-2-(2-methoxyphenoxy)acetamide

C13H14N2O3 — CID 23288687

IUPACN-[(Z)-1-cyanoprop-1-en-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N/C(C)=C\C#N
InChIInChI=1S/C13H14N2O3/c1-10(7-8-14)15-13(16)9-18-12-6-4-3-5-11(12)17-2/h3-7H,9H2,1-2H3,(H,15,16)/b10-7-
InChIKeyKIWJUZVILGQZGY-YFHOEESVSA-N
MW246.27 g/mol
LogP1.62
Rot. Bonds5

About N-[(Z)-1-cyanoprop-1-en-2-yl]-2-(2-methoxyphenoxy)acetamide

N-[(Z)-1-cyanoprop-1-en-2-yl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 23288687) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[(Z)-1-cyanoprop-1-en-2-yl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-cyanoprop-1-en-2-yl]-2-(2-methoxyphenoxy)acetamide
PubChem CID23288687
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-[(Z)-1-cyanoprop-1-en-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N/C(C)=C\C#N
InChIInChI=1S/C13H14N2O3/c1-10(7-8-14)15-13(16)9-18-12-6-4-3-5-11(12)17-2/h3-7H,9H2,1-2H3,(H,15,16)/b10-7-
InChIKeyKIWJUZVILGQZGY-YFHOEESVSA-N
XLogP1.62
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanophenyl)-2-(2-methoxyphenoxy)acetamide
CID 922260
N-(2-acetamidophenyl)-2-(2-methoxyphenoxy)acetamide
CID 3601272
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262
2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914369
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
N'-[2-(2-methoxyphenoxy)acetyl]tetradecanehydrazide
CID 54792289
N-(3-hydroxy-2-pyridinyl)-2-(2-methoxyphenoxy)acetamide
CID 18109430
2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4936798
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
2-(2-methoxyphenoxy)-N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4506420
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 746811
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 39086763

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-cyanoprop-1-en-2-yl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[(Z)-1-cyanoprop-1-en-2-yl]-2-(2-methoxyphenoxy)acetamide (CID 23288687) is N-[(Z)-1-cyanoprop-1-en-2-yl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-cyanoprop-1-en-2-yl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-cyanoprop-1-en-2-yl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)N/C(C)=C\C#N.
What is the InChIKey of N-[(Z)-1-cyanoprop-1-en-2-yl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is KIWJUZVILGQZGY-YFHOEESVSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-10(7-8-14)15-13(16)9-18-12-6-4-3-5-11(12)17-2/h3-7H,9H2,1-2H3,(H,15,16)/b10-7-.
What are the key properties of N-[(Z)-1-cyanoprop-1-en-2-yl]-2-(2-methoxyphenoxy)acetamide?
N-[(Z)-1-cyanoprop-1-en-2-yl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 246.27 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-cyanoprop-1-en-2-yl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 23288687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).