3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide

C20H22N2O4 — CID 113128829

IUPAC3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide
SMILESCOc1ccccc1N(CCC(=O)Nc1cccc(C(C)=O)c1)C(C)=O
InChIInChI=1S/C20H22N2O4/c1-14(23)16-7-6-8-17(13-16)21-20(25)11-12-22(15(2)24)18-9-4-5-10-19(18)26-3/h4-10,13H,11-12H2,1-3H3,(H,21,25)
InChIKeyLUQGXCRLEDNOMI-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.28
Rot. Bonds7

About 3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide

3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide (PubChem CID 113128829) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide
PubChem CID113128829
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide
SMILESCOc1ccccc1N(CCC(=O)Nc1cccc(C(C)=O)c1)C(C)=O
InChIInChI=1S/C20H22N2O4/c1-14(23)16-7-6-8-17(13-16)21-20(25)11-12-22(15(2)24)18-9-4-5-10-19(18)26-3/h4-10,13H,11-12H2,1-3H3,(H,21,25)
InChIKeyLUQGXCRLEDNOMI-UHFFFAOYSA-N
XLogP3.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113128809
3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113128810
3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113128795
3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide
CID 113124249
3-(N-acetyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113128823
3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824
3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide
CID 113133926
3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113128790
3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113128801
N-(3-acetylphenyl)-2-(N-acetyl-2-propan-2-yloxyanilino)acetamide
CID 113174315
N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181020
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide (CID 113128829) is 3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide is COc1ccccc1N(CCC(=O)Nc1cccc(C(C)=O)c1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide?
The InChIKey is LUQGXCRLEDNOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14(23)16-7-6-8-17(13-16)21-20(25)11-12-22(15(2)24)18-9-4-5-10-19(18)26-3/h4-10,13H,11-12H2,1-3H3,(H,21,25).
What are the key properties of 3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide?
3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide has a molecular weight of 354.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide is sourced from PubChem (CID 113128829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).