N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide

C14H18N4O2 — CID 8712093

IUPACN-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(C#N)cc1)CC(=O)N(C)C
InChIInChI=1S/C14H18N4O2/c1-17(2)14(20)10-18(3)9-13(19)16-12-6-4-11(8-15)5-7-12/h4-7H,9-10H2,1-3H3,(H,16,19)
InChIKeyFYKFITPOZKFJRU-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.52
Rot. Bonds5

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

N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 8712093) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
PubChem CID8712093
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(C#N)cc1)CC(=O)N(C)C
InChIInChI=1S/C14H18N4O2/c1-17(2)14(20)10-18(3)9-13(19)16-12-6-4-11(8-15)5-7-12/h4-7H,9-10H2,1-3H3,(H,16,19)
InChIKeyFYKFITPOZKFJRU-UHFFFAOYSA-N
XLogP0.52
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
N-(4-aminophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 43374598
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
CID 8712033
N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide
CID 78925005
N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61222771
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43215756
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
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62822509

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide (CID 8712093) is N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)Nc1ccc(C#N)cc1)CC(=O)N(C)C.
What is the InChIKey of N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is FYKFITPOZKFJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17(2)14(20)10-18(3)9-13(19)16-12-6-4-11(8-15)5-7-12/h4-7H,9-10H2,1-3H3,(H,16,19).
What are the key properties of N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 274.32 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8712093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).