N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide

C20H19N3O3 — CID 113130769

IUPACN-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide
SMILESCC(=O)c1cccc(N(CCC(=O)Nc2cccc(C#N)c2)C(C)=O)c1
InChIInChI=1S/C20H19N3O3/c1-14(24)17-6-4-8-19(12-17)23(15(2)25)10-9-20(26)22-18-7-3-5-16(11-18)13-21/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)
InChIKeyQGTMCAOVZXYDQG-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.14
Rot. Bonds6

About N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide

N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide (PubChem CID 113130769) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide
PubChem CID113130769
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide
SMILESCC(=O)c1cccc(N(CCC(=O)Nc2cccc(C#N)c2)C(C)=O)c1
InChIInChI=1S/C20H19N3O3/c1-14(24)17-6-4-8-19(12-17)23(15(2)25)10-9-20(26)22-18-7-3-5-16(11-18)13-21/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)
InChIKeyQGTMCAOVZXYDQG-UHFFFAOYSA-N
XLogP3.14
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide
CID 113133827
3-(N-acetyl-3,5-dichloroanilino)-N-(3-cyanophenyl)propanamide
CID 113134148
3-(N-acetyl-3-cyanoanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113134924
methyl 4-[3-(N,3-diacetylanilino)propanoylamino]benzoate
CID 113130750
3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide
CID 113132517
N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide
CID 113130904
3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide
CID 113135614
3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide
CID 113134926
3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113134925
methyl 3-[acetyl-[3-(3-methylanilino)-3-oxopropyl]amino]benzoate
CID 113131394
3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide
CID 113130052

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide (CID 113130769) is N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide is CC(=O)c1cccc(N(CCC(=O)Nc2cccc(C#N)c2)C(C)=O)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide?
The InChIKey is QGTMCAOVZXYDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14(24)17-6-4-8-19(12-17)23(15(2)25)10-9-20(26)22-18-7-3-5-16(11-18)13-21/h3-8,11-12H,9-10H2,1-2H3,(H,22,26).
What are the key properties of N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide?
N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide has a molecular weight of 349.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide is sourced from PubChem (CID 113130769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).