5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide

C17H18N2O3 — CID 87024322

IUPAC5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1
InChIInChI=1S/C17H18N2O3/c1-12(2)19(3)17(20)16-9-8-14(22-16)11-21-15-7-5-4-6-13(15)10-18/h4-9,12H,11H2,1-3H3
InChIKeyQJFBGTFGPGWGOI-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.21
Rot. Bonds5

About 5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide

5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide (PubChem CID 87024322) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide
PubChem CID87024322
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1
InChIInChI=1S/C17H18N2O3/c1-12(2)19(3)17(20)16-9-8-14(22-16)11-21-15-7-5-4-6-13(15)10-18/h4-9,12H,11H2,1-3H3
InChIKeyQJFBGTFGPGWGOI-UHFFFAOYSA-N
XLogP3.21
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-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

5-[(2-cyanophenoxy)methyl]-N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51123765
N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 56534140
2-[[5-(azepane-1-carbonyl)furan-2-yl]methoxy]benzonitrile
CID 47051145
5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 52512133
5-[(2-cyanophenoxy)methyl]-N-(6-methoxy-3-pyridinyl)furan-2-carboxamide
CID 47051131
N-[(3-bromophenyl)methyl]-5-[(2-cyanophenoxy)methyl]-N-cyclopropylfuran-2-carboxamide
CID 55829467
5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide
CID 55844677
5-[(2-cyanophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51085773
5-(methoxymethyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 78852151
5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide
CID 95783263
5-[(2-cyanophenoxy)methyl]-N-(4-hydroxycyclohexyl)furan-2-carboxamide
CID 56814629
N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55872708

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide (CID 87024322) is 5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide is CC(C)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1.
What is the InChIKey of 5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is QJFBGTFGPGWGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12(2)19(3)17(20)16-9-8-14(22-16)11-21-15-7-5-4-6-13(15)10-18/h4-9,12H,11H2,1-3H3.
What are the key properties of 5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide?
5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 87024322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).