N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C20H18N2O3 — CID 78796865

IUPACN-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCN(CCC#N)C(=O)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C20H18N2O3/c1-22(12-4-11-21)20(23)19-10-9-18(25-19)14-24-17-8-7-15-5-2-3-6-16(15)13-17/h2-3,5-10,13H,4,12,14H2,1H3
InChIKeyXKLVJUOLBUCUEB-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.00
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 78796865) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
PubChem CID78796865
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCN(CCC#N)C(=O)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C20H18N2O3/c1-22(12-4-11-21)20(23)19-10-9-18(25-19)14-24-17-8-7-15-5-2-3-6-16(15)13-17/h2-3,5-10,13H,4,12,14H2,1H3
InChIKeyXKLVJUOLBUCUEB-UHFFFAOYSA-N
XLogP4.00
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)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,N-dimethyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39001167
N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide
CID 112726763
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460541
N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide
CID 28780453
N-[3-(cyanomethoxy)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 55800345
N-methyl-1-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanamine
CID 62460500
5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide
CID 51075676
N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984
N-cycloheptyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461005
3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide
CID 61207818
N-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 51213609
N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 56534140

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 78796865) is N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is CN(CCC#N)C(=O)c1ccc(COc2ccc3ccccc3c2)o1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The InChIKey is XKLVJUOLBUCUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-22(12-4-11-21)20(23)19-10-9-18(25-19)14-24-17-8-7-15-5-2-3-6-16(15)13-17/h2-3,5-10,13H,4,12,14H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 78796865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).