2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide

C20H19N3O2 — CID 42946158

IUPAC2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide
SMILESCC(c1cc2ccccc2o1)N(C)CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C20H19N3O2/c1-14(19-11-16-7-3-4-9-18(16)25-19)23(2)13-20(24)22-17-8-5-6-15(10-17)12-21/h3-11,14H,13H2,1-2H3,(H,22,24)
InChIKeyAKHVIVDQHQCOFB-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.94
Rot. Bonds5

About 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide

2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide (PubChem CID 42946158) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide
PubChem CID42946158
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide
SMILESCC(c1cc2ccccc2o1)N(C)CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C20H19N3O2/c1-14(19-11-16-7-3-4-9-18(16)25-19)23(2)13-20(24)22-17-8-5-6-15(10-17)12-21/h3-11,14H,13H2,1-2H3,(H,22,24)
InChIKeyAKHVIVDQHQCOFB-UHFFFAOYSA-N
XLogP3.94
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide
CID 41047179
N-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide
CID 42891727
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 43052670
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 46551665
2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(3-cyanophenyl)acetamide
CID 9047529
2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
CID 113158289
N-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide
CID 115638357
4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile
CID 39976766
N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 41176479
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(3-cyanophenyl)propanamide
CID 8767213
2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 124733045
N-(3-cyanophenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 17425595

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide (CID 42946158) is 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide is CC(c1cc2ccccc2o1)N(C)CC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide?
The InChIKey is AKHVIVDQHQCOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14(19-11-16-7-3-4-9-18(16)25-19)23(2)13-20(24)22-17-8-5-6-15(10-17)12-21/h3-11,14H,13H2,1-2H3,(H,22,24).
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide?
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 42946158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).