N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide

C20H20N4O3 — CID 113134968

IUPACN-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN(C(C)=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C20H20N4O3/c1-14(25)22-17-6-8-18(9-7-17)23-20(27)10-11-24(15(2)26)19-5-3-4-16(12-19)13-21/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyYMNWDEXFQJRMFC-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.90
Rot. Bonds6

About N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide

N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide (PubChem CID 113134968) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
PubChem CID113134968
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN(C(C)=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C20H20N4O3/c1-14(25)22-17-6-8-18(9-7-17)23-20(27)10-11-24(15(2)26)19-5-3-4-16(12-19)13-21/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyYMNWDEXFQJRMFC-UHFFFAOYSA-N
XLogP2.90
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide
CID 113130769
3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide
CID 113132517
3-(N-acetyl-3-cyanoanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113134924
3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide
CID 113133827
3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide
CID 113134926
3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113134925
3-(N-acetyl-3,5-dichloroanilino)-N-(3-cyanophenyl)propanamide
CID 113134148
3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124627
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113180933
3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide
CID 113134840
3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide
CID 113134986

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide (CID 113134968) is N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide is CC(=O)Nc1ccc(NC(=O)CCN(C(C)=O)c2cccc(C#N)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide?
The InChIKey is YMNWDEXFQJRMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14(25)22-17-6-8-18(9-7-17)23-20(27)10-11-24(15(2)26)19-5-3-4-16(12-19)13-21/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide?
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide has a molecular weight of 364.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide is sourced from PubChem (CID 113134968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).