2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide

C14H17N3O2 — CID 62035144

IUPAC2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)CC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O2/c1-3-16-14(19)10-17(2)9-13(18)12-6-4-11(8-15)5-7-12/h4-7H,3,9-10H2,1-2H3,(H,16,19)
InChIKeyLYLPAIOLHGXCCV-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.81
Rot. Bonds6

About 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide

2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide (PubChem CID 62035144) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide
PubChem CID62035144
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)CC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O2/c1-3-16-14(19)10-17(2)9-13(18)12-6-4-11(8-15)5-7-12/h4-7H,3,9-10H2,1-2H3,(H,16,19)
InChIKeyLYLPAIOLHGXCCV-UHFFFAOYSA-N
XLogP0.81
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 62037442
4-[2-[butyl(methyl)amino]acetyl]benzonitrile
CID 43227818
2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 62035140
4-[2-[benzyl(methyl)amino]acetyl]benzonitrile
CID 60679544
[2-(ethylamino)-2-oxoethyl] 4-cyanobenzoate
CID 2592389
4-[2-[methyl(4-methylpentan-2-yl)amino]acetyl]benzonitrile
CID 54999693
3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61149660
2-(4-cyanophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 62404901
4-[2-(N-methylanilino)acetyl]benzonitrile
CID 43227448
4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile
CID 62051809
4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile
CID 62034806
4-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetyl]benzonitrile
CID 62030522

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide (CID 62035144) is 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)CC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide?
The InChIKey is LYLPAIOLHGXCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-16-14(19)10-17(2)9-13(18)12-6-4-11(8-15)5-7-12/h4-7H,3,9-10H2,1-2H3,(H,16,19).
What are the key properties of 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide?
2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide has a molecular weight of 259.31 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide is sourced from PubChem (CID 62035144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).