2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide

C12H16N4O — CID 62686451

IUPAC2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
SMILESCN(CCN)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C12H16N4O/c1-16(7-6-13)9-12(17)15-11-4-2-10(8-14)3-5-11/h2-5H,6-7,9,13H2,1H3,(H,15,17)
InChIKeyNOHIMGIXILSONX-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.39
Rot. Bonds5

About 2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide

2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide (PubChem CID 62686451) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
PubChem CID62686451
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
SMILESCN(CCN)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C12H16N4O/c1-16(7-6-13)9-12(17)15-11-4-2-10(8-14)3-5-11/h2-5H,6-7,9,13H2,1H3,(H,15,17)
InChIKeyNOHIMGIXILSONX-UHFFFAOYSA-N
XLogP0.39
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434
N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide
CID 78925005
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712093
N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 80710244
N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide
CID 62686648
2-[2-aminoethyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 62688099
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 62687003
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972
N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 2699365

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide (CID 62686451) is 2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide is CN(CCN)CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide?
The InChIKey is NOHIMGIXILSONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16(7-6-13)9-12(17)15-11-4-2-10(8-14)3-5-11/h2-5H,6-7,9,13H2,1H3,(H,15,17).
What are the key properties of 2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide?
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide has a molecular weight of 232.29 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 62686451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).