N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide

C16H16N2O3 — CID 86864591

IUPACN-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide
SMILESCCN(CC#N)C(=O)c1occc1COc1ccccc1
InChIInChI=1S/C16H16N2O3/c1-2-18(10-9-17)16(19)15-13(8-11-20-15)12-21-14-6-4-3-5-7-14/h3-8,11H,2,10,12H2,1H3
InChIKeyWJOGSQCEBXNVEW-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.84
Rot. Bonds6

About N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide

N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 86864591) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID86864591
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide
SMILESCCN(CC#N)C(=O)c1occc1COc1ccccc1
InChIInChI=1S/C16H16N2O3/c1-2-18(10-9-17)16(19)15-13(8-11-20-15)12-21-14-6-4-3-5-7-14/h3-8,11H,2,10,12H2,1H3
InChIKeyWJOGSQCEBXNVEW-UHFFFAOYSA-N
XLogP2.84
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474
2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
CID 119359087
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55743245
N,N-bis(cyanomethyl)-2-phenoxyacetamide
CID 842502
N,N-diethyl-2-(phenoxymethyl)benzamide
CID 78777252
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
3-[[4-(cyanomethyl)phenoxy]methyl]furan-2-carboxylic acid
CID 43244453
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid
CID 43153146

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide (CID 86864591) is N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide is CCN(CC#N)C(=O)c1occc1COc1ccccc1.
What is the InChIKey of N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is WJOGSQCEBXNVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-18(10-9-17)16(19)15-13(8-11-20-15)12-21-14-6-4-3-5-7-14/h3-8,11H,2,10,12H2,1H3.
What are the key properties of N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide?
N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 86864591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).