3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide

C16H17N3O2 — CID 4884702

IUPAC3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCN(C)C(CNC(=O)c1cccc(C#N)c1)c1ccco1
InChIInChI=1S/C16H17N3O2/c1-19(2)14(15-7-4-8-21-15)11-18-16(20)13-6-3-5-12(9-13)10-17/h3-9,14H,11H2,1-2H3,(H,18,20)
InChIKeyHZCOJOLZQKIVSC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.18
Rot. Bonds5

About 3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide

3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (PubChem CID 4884702) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
PubChem CID4884702
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCN(C)C(CNC(=O)c1cccc(C#N)c1)c1ccco1
InChIInChI=1S/C16H17N3O2/c1-19(2)14(15-7-4-8-21-15)11-18-16(20)13-6-3-5-12(9-13)10-17/h3-9,14H,11H2,1-2H3,(H,18,20)
InChIKeyHZCOJOLZQKIVSC-UHFFFAOYSA-N
XLogP2.18
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Furylmethyl)benzamide
CID 236716
Furfurylamine, alpha-benzyl-N-ethyl-
CID 52652
N-(2-Furylmethyl)-3-phenylacrylamide
CID 732131
N-(2-Furanylmethyl)-4-methylbenzamide
CID 674887
1-[(N-acetylglycyl)(2-furylmethyl)amino]-N-cyclohexylcyclohexanecarboxamide
CID 3240475
Furan-2-carboxylic acid {1-[(benzyloxymethyl-cyano-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-amide
CID 10938777
2-cyano-N-(2-furylmethyl)-5-phenyl-2,4-pentadienamide
CID 1714535
N'-(2-furylmethyl)-N-[[3-[[[2-(2-furylmethylamino)-2-oxo-acetyl]amino]methyl]phenyl]methyl]oxamide
CID 2851556
N~1~-{3-[(2-Furylmethyl)amino]-3-oxopropyl}-4-methylbenzamide
CID 2978176
N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 4561126
3-(dimethylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 4803621
2-chloro-N-(2-(dimethylamino)-2-(furan-2-yl)ethyl)-6-fluorobenzamide
CID 4879644

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (CID 4884702) is 3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is CN(C)C(CNC(=O)c1cccc(C#N)c1)c1ccco1.
What is the InChIKey of 3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The InChIKey is HZCOJOLZQKIVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19(2)14(15-7-4-8-21-15)11-18-16(20)13-6-3-5-12(9-13)10-17/h3-9,14H,11H2,1-2H3,(H,18,20).
What are the key properties of 3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 4884702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).