N-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide

C17H16N2O4 — CID 38898878

IUPACN-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESN#CCCN(Cc1ccco1)C(=O)COc1ccccc1C=O
InChIInChI=1S/C17H16N2O4/c18-8-4-9-19(11-15-6-3-10-22-15)17(21)13-23-16-7-2-1-5-14(16)12-20/h1-3,5-7,10,12H,4,9,11,13H2
InChIKeyODRWONPGWBCIKT-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.41
Rot. Bonds8

About N-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide

N-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide (PubChem CID 38898878) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide
PubChem CID38898878
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESN#CCCN(Cc1ccco1)C(=O)COc1ccccc1C=O
InChIInChI=1S/C17H16N2O4/c18-8-4-9-19(11-15-6-3-10-22-15)17(21)13-23-16-7-2-1-5-14(16)12-20/h1-3,5-7,10,12H,4,9,11,13H2
InChIKeyODRWONPGWBCIKT-UHFFFAOYSA-N
XLogP2.41
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 8977371
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide
CID 60687664
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
2-(2-aminophenoxy)-N-ethyl-N-(furan-2-ylmethyl)acetamide
CID 61110180
N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide
CID 30834008
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54874146
3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 78798556
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 60519887
[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 18092409

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide (CID 38898878) is N-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide is N#CCCN(Cc1ccco1)C(=O)COc1ccccc1C=O.
What is the InChIKey of N-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ODRWONPGWBCIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c18-8-4-9-19(11-15-6-3-10-22-15)17(21)13-23-16-7-2-1-5-14(16)12-20/h1-3,5-7,10,12H,4,9,11,13H2.
What are the key properties of N-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide?
N-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 312.33 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 38898878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).