N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide

C18H20N2O4 — CID 109009580

IUPACN-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(C(C)=O)c2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-12(21)13-5-4-6-15(9-13)20-18(22)11-19-14-7-8-16(23-2)17(10-14)24-3/h4-10,19H,11H2,1-3H3,(H,20,22)
InChIKeyGYBUMKRKEPEJRV-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.96
Rot. Bonds7

About N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide

N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide (PubChem CID 109009580) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide
PubChem CID109009580
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(C(C)=O)c2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-12(21)13-5-4-6-15(9-13)20-18(22)11-19-14-7-8-16(23-2)17(10-14)24-3/h4-10,19H,11H2,1-3H3,(H,20,22)
InChIKeyGYBUMKRKEPEJRV-UHFFFAOYSA-N
XLogP2.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109040586
2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9080374
methyl 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 26506872
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide
CID 55565701
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9099428
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
CID 60536243

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide (CID 109009580) is N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide is COc1ccc(NCC(=O)Nc2cccc(C(C)=O)c2)cc1OC.
What is the InChIKey of N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide?
The InChIKey is GYBUMKRKEPEJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12(21)13-5-4-6-15(9-13)20-18(22)11-19-14-7-8-16(23-2)17(10-14)24-3/h4-10,19H,11H2,1-3H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide?
N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide has a molecular weight of 328.37 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide is sourced from PubChem (CID 109009580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).