2-cyano-N-(2-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide

C17H18N2O3 — CID 73253951

IUPAC2-cyano-N-(2-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C#N)Cc1ccc(C)o1
InChIInChI=1S/C17H18N2O3/c1-3-21-16-7-5-4-6-15(16)19-17(20)13(11-18)10-14-9-8-12(2)22-14/h4-9,13H,3,10H2,1-2H3,(H,19,20)
InChIKeyYKOYJMCPZBOMOQ-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.31
Rot. Bonds6

About 2-cyano-N-(2-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide

2-cyano-N-(2-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide (PubChem CID 73253951) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-cyano-N-(2-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(2-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide
PubChem CID73253951
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-cyano-N-(2-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C#N)Cc1ccc(C)o1
InChIInChI=1S/C17H18N2O3/c1-3-21-16-7-5-4-6-15(16)19-17(20)13(11-18)10-14-9-8-12(2)22-14/h4-9,13H,3,10H2,1-2H3,(H,19,20)
InChIKeyYKOYJMCPZBOMOQ-UHFFFAOYSA-N
XLogP3.31
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-cyano-N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 5413283
(2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide
CID 863429
(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide
CID 763342
(2R)-2-cyano-3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-3-oxopropanamide
CID 98450338
3-(4-chlorophenyl)-2-cyano-N-(2-ethoxyphenyl)-3-oxopropanamide
CID 51086465
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
(2R)-2-(4-cyanophenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 7505945
2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 51242376
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
1-[(2R)-but-3-yn-2-yl]-3-(2-ethoxyphenyl)urea
CID 100696926
(2R)-N-(2-ethoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837498

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide?
The IUPAC name of 2-cyano-N-(2-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide (CID 73253951) is 2-cyano-N-(2-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(2-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for 2-cyano-N-(2-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide is CCOc1ccccc1NC(=O)C(C#N)Cc1ccc(C)o1.
What is the InChIKey of 2-cyano-N-(2-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide?
The InChIKey is YKOYJMCPZBOMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-21-16-7-5-4-6-15(16)19-17(20)13(11-18)10-14-9-8-12(2)22-14/h4-9,13H,3,10H2,1-2H3,(H,19,20).
What are the key properties of 2-cyano-N-(2-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide?
2-cyano-N-(2-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 298.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 73253951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).