2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide

C18H21N3O4 — CID 78822926

IUPAC2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(CCC#N)Cc2ccco2)cc(OC)c1
InChIInChI=1S/C18H21N3O4/c1-23-16-9-14(10-17(11-16)24-2)20-18(22)13-21(7-4-6-19)12-15-5-3-8-25-15/h3,5,8-11H,4,7,12-13H2,1-2H3,(H,20,22)
InChIKeyPQEDIWRHUFNQKC-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.65
Rot. Bonds9

About 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide

2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 78822926) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID78822926
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(CCC#N)Cc2ccco2)cc(OC)c1
InChIInChI=1S/C18H21N3O4/c1-23-16-9-14(10-17(11-16)24-2)20-18(22)13-21(7-4-6-19)12-15-5-3-8-25-15/h3,5,8-11H,4,7,12-13H2,1-2H3,(H,20,22)
InChIKeyPQEDIWRHUFNQKC-UHFFFAOYSA-N
XLogP2.65
TPSA87.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 55354188
N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
CID 86910978
N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
CID 78823068
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 86910946
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 78822968
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 86910979
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 78798540
N-(3,5-dimethoxyphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 37095514
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 86911016
3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495815
N-(3-acetylphenyl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840674
2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 24534474

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide (CID 78822926) is 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CN(CCC#N)Cc2ccco2)cc(OC)c1.
What is the InChIKey of 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is PQEDIWRHUFNQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-23-16-9-14(10-17(11-16)24-2)20-18(22)13-21(7-4-6-19)12-15-5-3-8-25-15/h3,5,8-11H,4,7,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide?
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 78822926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).