2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide

C15H19N3O2 — CID 113166246

IUPAC2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C#N)cc1)C(C)(C)C
InChIInChI=1S/C15H19N3O2/c1-11(19)18(15(2,3)4)10-14(20)17-13-7-5-12(9-16)6-8-13/h5-8H,10H2,1-4H3,(H,17,20)
InChIKeyGTFPFPWYGMNZAN-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.14
Rot. Bonds3

About 2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide

2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide (PubChem CID 113166246) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide
PubChem CID113166246
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C#N)cc1)C(C)(C)C
InChIInChI=1S/C15H19N3O2/c1-11(19)18(15(2,3)4)10-14(20)17-13-7-5-12(9-16)6-8-13/h5-8H,10H2,1-4H3,(H,17,20)
InChIKeyGTFPFPWYGMNZAN-UHFFFAOYSA-N
XLogP2.14
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(tert-butyl)amino]-N-(4-methylphenyl)acetamide
CID 113166147
2-(N-acetyl-4-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113181129
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62822509
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide
CID 113159199
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113166215
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide
CID 113175364
2-[acetyl(tert-butyl)amino]-N-(3,5-dimethylphenyl)acetamide
CID 113166154
N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712093

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide (CID 113166246) is 2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C#N)cc1)C(C)(C)C.
What is the InChIKey of 2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide?
The InChIKey is GTFPFPWYGMNZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(19)18(15(2,3)4)10-14(20)17-13-7-5-12(9-16)6-8-13/h5-8H,10H2,1-4H3,(H,17,20).
What are the key properties of 2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide?
2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide has a molecular weight of 273.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 113166246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).