N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide

C22H20N2O3 — CID 55899603

IUPACN-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1
InChIInChI=1S/C22H20N2O3/c1-2-18-11-12-21(27-18)22(25)24-20-6-4-3-5-17(20)15-26-19-9-7-16(8-10-19)13-14-23/h3-12H,2,13,15H2,1H3,(H,24,25)
InChIKeyDKXMIXPVZYIAKU-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.74
Rot. Bonds7

About N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide

N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide (PubChem CID 55899603) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide
PubChem CID55899603
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1
InChIInChI=1S/C22H20N2O3/c1-2-18-11-12-21(27-18)22(25)24-20-6-4-3-5-17(20)15-26-19-9-7-16(8-10-19)13-14-23/h3-12H,2,13,15H2,1H3,(H,24,25)
InChIKeyDKXMIXPVZYIAKU-UHFFFAOYSA-N
XLogP4.74
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 112726762
N-(2-cyanophenyl)-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 19454573
N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 55981754
3-bromo-N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-methylindole-2-carboxamide
CID 55981884
N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55899991
4-chloro-N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-3-methylsulfonylbenzamide
CID 52702742
N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19440079
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 55778335
1-[(6-chloro-3-pyridinyl)methyl]-3-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]urea
CID 78893561
N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55899981
N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55899483
5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 86886561

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide?
The IUPAC name of N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide (CID 55899603) is N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1.
What is the InChIKey of N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide?
The InChIKey is DKXMIXPVZYIAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-2-18-11-12-21(27-18)22(25)24-20-6-4-3-5-17(20)15-26-19-9-7-16(8-10-19)13-14-23/h3-12H,2,13,15H2,1H3,(H,24,25).
What are the key properties of N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide?
N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 55899603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).