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

C17H23N3O2 — CID 4803621

IUPAC3-(dimethylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC(c2ccco2)N(C)C)c1
InChIInChI=1S/C17H23N3O2/c1-19(2)14-8-5-7-13(11-14)17(21)18-12-15(20(3)4)16-9-6-10-22-16/h5-11,15H,12H2,1-4H3,(H,18,21)
InChIKeyVLFKOKGDQBTRGG-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.38
Rot. Bonds6

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

3-(dimethylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (PubChem CID 4803621) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
PubChem CID4803621
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-(dimethylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC(c2ccco2)N(C)C)c1
InChIInChI=1S/C17H23N3O2/c1-19(2)14-8-5-7-13(11-14)17(21)18-12-15(20(3)4)16-9-6-10-22-16/h5-11,15H,12H2,1-4H3,(H,18,21)
InChIKeyVLFKOKGDQBTRGG-UHFFFAOYSA-N
XLogP2.38
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (CID 4803621) is 3-(dimethylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is CN(C)c1cccc(C(=O)NCC(c2ccco2)N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The InChIKey is VLFKOKGDQBTRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19(2)14-8-5-7-13(11-14)17(21)18-12-15(20(3)4)16-9-6-10-22-16/h5-11,15H,12H2,1-4H3,(H,18,21).
What are the key properties of 3-(dimethylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
3-(dimethylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide has a molecular weight of 301.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 4803621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).