2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide

C15H19N3O2 — CID 113159199

IUPAC2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide
SMILESCCC(C)N(CC(=O)Nc1ccc(C#N)cc1)C(C)=O
InChIInChI=1S/C15H19N3O2/c1-4-11(2)18(12(3)19)10-15(20)17-14-7-5-13(9-16)6-8-14/h5-8,11H,4,10H2,1-3H3,(H,17,20)
InChIKeyDNNDECLEZMHIOZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.14
Rot. Bonds5

About 2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide

2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide (PubChem CID 113159199) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide
PubChem CID113159199
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide
SMILESCCC(C)N(CC(=O)Nc1ccc(C#N)cc1)C(C)=O
InChIInChI=1S/C15H19N3O2/c1-4-11(2)18(12(3)19)10-15(20)17-14-7-5-13(9-16)6-8-14/h5-8,11H,4,10H2,1-3H3,(H,17,20)
InChIKeyDNNDECLEZMHIOZ-UHFFFAOYSA-N
XLogP2.14
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113159160
2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide
CID 113148818
2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide
CID 113166246
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434
2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
CID 113158289
N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 41176479
N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
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
3-[[2-(4-cyanoanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62852803
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide (CID 113159199) is 2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide is CCC(C)N(CC(=O)Nc1ccc(C#N)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide?
The InChIKey is DNNDECLEZMHIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-11(2)18(12(3)19)10-15(20)17-14-7-5-13(9-16)6-8-14/h5-8,11H,4,10H2,1-3H3,(H,17,20).
What are the key properties of 2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide?
2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide has a molecular weight of 273.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 113159199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).