3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide

C20H21N3O3 — CID 113129674

IUPAC3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide
SMILESCOc1ccc(C)cc1N(CCC(=O)Nc1ccccc1C#N)C(C)=O
InChIInChI=1S/C20H21N3O3/c1-14-8-9-19(26-3)18(12-14)23(15(2)24)11-10-20(25)22-17-7-5-4-6-16(17)13-21/h4-9,12H,10-11H2,1-3H3,(H,22,25)
InChIKeyJFAABMBIOSYNFJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.26
Rot. Bonds6

About 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide

3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide (PubChem CID 113129674) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide
PubChem CID113129674
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide
SMILESCOc1ccc(C)cc1N(CCC(=O)Nc1ccccc1C#N)C(C)=O
InChIInChI=1S/C20H21N3O3/c1-14-8-9-19(26-3)18(12-14)23(15(2)24)11-10-20(25)22-17-7-5-4-6-16(17)13-21/h4-9,12H,10-11H2,1-3H3,(H,22,25)
InChIKeyJFAABMBIOSYNFJ-UHFFFAOYSA-N
XLogP3.26
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129639
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide
CID 113129676
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,3-dichlorophenyl)propanamide
CID 113129672
3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113134770
3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide
CID 113134040
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113128529
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113129681
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methoxyphenyl)propanamide
CID 113124754
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 113130389
3-(N-acetyl-2-methoxy-5-methylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113129649
3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide
CID 113129532
3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide
CID 113126234

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide (CID 113129674) is 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide is COc1ccc(C)cc1N(CCC(=O)Nc1ccccc1C#N)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide?
The InChIKey is JFAABMBIOSYNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-8-9-19(26-3)18(12-14)23(15(2)24)11-10-20(25)22-17-7-5-4-6-16(17)13-21/h4-9,12H,10-11H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide?
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 113129674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).