N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide

C17H18N2O3 — CID 78798540

IUPACN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N(CCC#N)Cc2ccco2)c1
InChIInChI=1S/C17H18N2O3/c1-21-15-6-2-5-14(11-15)12-17(20)19(9-4-8-18)13-16-7-3-10-22-16/h2-3,5-7,10-11H,4,9,12-13H2,1H3
InChIKeyNAOXEOKMUBGWRH-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.77
Rot. Bonds7

About N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide (PubChem CID 78798540) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
PubChem CID78798540
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N(CCC#N)Cc2ccco2)c1
InChIInChI=1S/C17H18N2O3/c1-21-15-6-2-5-14(11-15)12-17(20)19(9-4-8-18)13-16-7-3-10-22-16/h2-3,5-7,10-11H,4,9,12-13H2,1H3
InChIKeyNAOXEOKMUBGWRH-UHFFFAOYSA-N
XLogP2.77
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide
CID 51185583
N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 86910321
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 86910776
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 51130616
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide
CID 60687664
N-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 18087127
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54874146
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide (CID 78798540) is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)N(CCC#N)Cc2ccco2)c1.
What is the InChIKey of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is NAOXEOKMUBGWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-21-15-6-2-5-14(11-15)12-17(20)19(9-4-8-18)13-16-7-3-10-22-16/h2-3,5-7,10-11H,4,9,12-13H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide?
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 298.34 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 78798540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).