2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide

C13H16N4O2 — CID 43216434

IUPAC2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H16N4O2/c1-15-12(18)8-17(2)9-13(19)16-11-5-3-10(7-14)4-6-11/h3-6H,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyYUOQSLRNDGIPIN-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.17
Rot. Bonds5

About 2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide

2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide (PubChem CID 43216434) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
PubChem CID43216434
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H16N4O2/c1-15-12(18)8-17(2)9-13(19)16-11-5-3-10(7-14)4-6-11/h3-6H,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyYUOQSLRNDGIPIN-UHFFFAOYSA-N
XLogP0.17
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712093
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide
CID 78925005
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 80710244
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61222771
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62822509
N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide
CID 113159199
N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
CID 60977237

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide (CID 43216434) is 2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The InChIKey is YUOQSLRNDGIPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-15-12(18)8-17(2)9-13(19)16-11-5-3-10(7-14)4-6-11/h3-6H,8-9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide?
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide has a molecular weight of 260.30 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 43216434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).