N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide

C18H20FN3O3 — CID 18136161

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
SMILESCc1oc(NC(=O)CN(C)CCOc2ccccc2F)c(C#N)c1C
InChIInChI=1S/C18H20FN3O3/c1-12-13(2)25-18(14(12)10-20)21-17(23)11-22(3)8-9-24-16-7-5-4-6-15(16)19/h4-7H,8-9,11H2,1-3H3,(H,21,23)
InChIKeyNKODTIORWYPGJQ-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.86
Rot. Bonds7

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide (PubChem CID 18136161) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
PubChem CID18136161
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
SMILESCc1oc(NC(=O)CN(C)CCOc2ccccc2F)c(C#N)c1C
InChIInChI=1S/C18H20FN3O3/c1-12-13(2)25-18(14(12)10-20)21-17(23)11-22(3)8-9-24-16-7-5-4-6-15(16)19/h4-7H,8-9,11H2,1-3H3,(H,21,23)
InChIKeyNKODTIORWYPGJQ-UHFFFAOYSA-N
XLogP2.86
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-2-cyano-3-(5-morpholin-4-ylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 1971752
N-(3-cyano-4,5-diphenyl-2-furyl)-2-(4-morpholinyl)acetamide
CID 2235240
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 53531175
(E)-2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
CID 2231166
2-(4-Fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
CID 839231
(Z)-2-(4-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
CID 839235
(Z)-2-(3-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
CID 2231167
2-(3-Fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
CID 2976033
2-(2-Fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
CID 3283008
(E)-2-(4-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
CID 5731418
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 16580972
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 16593605

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide (CID 18136161) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide is Cc1oc(NC(=O)CN(C)CCOc2ccccc2F)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
The InChIKey is NKODTIORWYPGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12-13(2)25-18(14(12)10-20)21-17(23)11-22(3)8-9-24-16-7-5-4-6-15(16)19/h4-7H,8-9,11H2,1-3H3,(H,21,23).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide has a molecular weight of 345.37 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide is sourced from PubChem (CID 18136161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).