5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide

C20H22N2O3 — CID 86886568

IUPAC5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide
SMILESN#Cc1ccc(OCc2ccc(C(=O)NCCC3CCCC3)o2)cc1
InChIInChI=1S/C20H22N2O3/c21-13-16-5-7-17(8-6-16)24-14-18-9-10-19(25-18)20(23)22-12-11-15-3-1-2-4-15/h5-10,15H,1-4,11-12,14H2,(H,22,23)
InChIKeyMJPCCISUDOJXHB-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.04
Rot. Bonds7

About 5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide

5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide (PubChem CID 86886568) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide
PubChem CID86886568
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide
SMILESN#Cc1ccc(OCc2ccc(C(=O)NCCC3CCCC3)o2)cc1
InChIInChI=1S/C20H22N2O3/c21-13-16-5-7-17(8-6-16)24-14-18-9-10-19(25-18)20(23)22-12-11-15-3-1-2-4-15/h5-10,15H,1-4,11-12,14H2,(H,22,23)
InChIKeyMJPCCISUDOJXHB-UHFFFAOYSA-N
XLogP4.04
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide
CID 86886752
5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide
CID 119533354
5-[(4-cyanophenoxy)methyl]furan-2-carboxylate
CID 4290764
5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 998142
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 55028748
5-[(4-acetylphenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
CID 19455175
5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
CID 119537396
5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397
2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
CID 62403309
methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
CID 17024109
N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 1011914

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide (CID 86886568) is 5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide is N#Cc1ccc(OCc2ccc(C(=O)NCCC3CCCC3)o2)cc1.
What is the InChIKey of 5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide?
The InChIKey is MJPCCISUDOJXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c21-13-16-5-7-17(8-6-16)24-14-18-9-10-19(25-18)20(23)22-12-11-15-3-1-2-4-15/h5-10,15H,1-4,11-12,14H2,(H,22,23).
What are the key properties of 5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide?
5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide is sourced from PubChem (CID 86886568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).