3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide

C22H25N3O2 — CID 113126234

IUPAC3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide
SMILESCCc1cccc(CC)c1N(CCC(=O)Nc1ccccc1C#N)C(C)=O
InChIInChI=1S/C22H25N3O2/c1-4-17-10-8-11-18(5-2)22(17)25(16(3)26)14-13-21(27)24-20-12-7-6-9-19(20)15-23/h6-12H,4-5,13-14H2,1-3H3,(H,24,27)
InChIKeyGEEOOLXYKGEDRQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.06
Rot. Bonds7

About 3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide

3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide (PubChem CID 113126234) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide
PubChem CID113126234
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide
SMILESCCc1cccc(CC)c1N(CCC(=O)Nc1ccccc1C#N)C(C)=O
InChIInChI=1S/C22H25N3O2/c1-4-17-10-8-11-18(5-2)22(17)25(16(3)26)14-13-21(27)24-20-12-7-6-9-19(20)15-23/h6-12H,4-5,13-14H2,1-3H3,(H,24,27)
InChIKeyGEEOOLXYKGEDRQ-UHFFFAOYSA-N
XLogP4.06
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide
CID 113133155
3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113126212
3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide
CID 113134926
N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
CID 113142957
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide
CID 113118534
3-[acetyl(butan-2-yl)amino]-N-(2-cyanophenyl)propanamide
CID 113116297
2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113181547
3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide
CID 113134040
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547
N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide
CID 113154456
N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide
CID 43824183
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide
CID 113129674

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide (CID 113126234) is 3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide is CCc1cccc(CC)c1N(CCC(=O)Nc1ccccc1C#N)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide?
The InChIKey is GEEOOLXYKGEDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-17-10-8-11-18(5-2)22(17)25(16(3)26)14-13-21(27)24-20-12-7-6-9-19(20)15-23/h6-12H,4-5,13-14H2,1-3H3,(H,24,27).
What are the key properties of 3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide?
3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide has a molecular weight of 363.46 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 113126234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).