N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide

C17H14N2O3 — CID 30834008

IUPACN-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide
SMILESN#CCN(C(=O)COc1ccccc1C=O)c1ccccc1
InChIInChI=1S/C17H14N2O3/c18-10-11-19(15-7-2-1-3-8-15)17(21)13-22-16-9-5-4-6-14(16)12-20/h1-9,12H,11,13H2
InChIKeyZHMXPZDGRFFLLG-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.43
Rot. Bonds6

About N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide

N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide (PubChem CID 30834008) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide
PubChem CID30834008
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide
SMILESN#CCN(C(=O)COc1ccccc1C=O)c1ccccc1
InChIInChI=1S/C17H14N2O3/c18-10-11-19(15-7-2-1-3-8-15)17(21)13-22-16-9-5-4-6-14(16)12-20/h1-9,12H,11,13H2
InChIKeyZHMXPZDGRFFLLG-UHFFFAOYSA-N
XLogP2.43
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-(2-formyl-4-nitrophenoxy)-N-phenylacetamide
CID 38925953
N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide
CID 38899195
2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 54857035
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
5,7-dichloro-4-[2-[N-(cyanomethyl)anilino]-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 87415811
N-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 38898878
N-(cyanomethyl)-2-(4-methyl-2-nitrophenoxy)-N-phenylacetamide
CID 8564308
2-(2-bromophenoxy)-N-(2-cyanoethyl)-N-phenylacetamide
CID 38877607
N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide
CID 38878091
2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide
CID 43015910
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] pyridine-2-carboxylate
CID 7775974
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-fluorobenzoate
CID 7863913

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide?
The IUPAC name of N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide (CID 30834008) is N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide is N#CCN(C(=O)COc1ccccc1C=O)c1ccccc1.
What is the InChIKey of N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide?
The InChIKey is ZHMXPZDGRFFLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c18-10-11-19(15-7-2-1-3-8-15)17(21)13-22-16-9-5-4-6-14(16)12-20/h1-9,12H,11,13H2.
What are the key properties of N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide?
N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide has a molecular weight of 294.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide is sourced from PubChem (CID 30834008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).