3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide

C20H21N3O3 — CID 113129676

IUPAC3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide
SMILESCOc1ccc(C)cc1N(CCC(=O)Nc1ccc(C#N)cc1)C(C)=O
InChIInChI=1S/C20H21N3O3/c1-14-4-9-19(26-3)18(12-14)23(15(2)24)11-10-20(25)22-17-7-5-16(13-21)6-8-17/h4-9,12H,10-11H2,1-3H3,(H,22,25)
InChIKeyGPGTUWYNSWQLAP-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.26
Rot. Bonds6

About 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide

3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide (PubChem CID 113129676) 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-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide
PubChem CID113129676
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide
SMILESCOc1ccc(C)cc1N(CCC(=O)Nc1ccc(C#N)cc1)C(C)=O
InChIInChI=1S/C20H21N3O3/c1-14-4-9-19(26-3)18(12-14)23(15(2)24)11-10-20(25)22-17-7-5-16(13-21)6-8-17/h4-9,12H,10-11H2,1-3H3,(H,22,25)
InChIKeyGPGTUWYNSWQLAP-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-2,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124281
3-(N-acetyl-2-methoxy-5-methylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113129649
3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide
CID 113130291
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide
CID 113129674
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113129632
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-cyanophenyl)propanamide
CID 113122110
3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide
CID 113130052
3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113135127
3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124627
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113129681
3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113131170
3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide
CID 113129532

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide (CID 113129676) is 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide is COc1ccc(C)cc1N(CCC(=O)Nc1ccc(C#N)cc1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide?
The InChIKey is GPGTUWYNSWQLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-4-9-19(26-3)18(12-14)23(15(2)24)11-10-20(25)22-17-7-5-16(13-21)6-8-17/h4-9,12H,10-11H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide?
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-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-(4-cyanophenyl)propanamide is sourced from PubChem (CID 113129676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).