2-(N-acetyl-2,5-dimethoxyanilino)-N-(1-phenylethyl)acetamide

C20H24N2O4 — CID 113174532

IUPAC2-(N-acetyl-2,5-dimethoxyanilino)-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NC(C)c2ccccc2)C(C)=O)c1
InChIInChI=1S/C20H24N2O4/c1-14(16-8-6-5-7-9-16)21-20(24)13-22(15(2)23)18-12-17(25-3)10-11-19(18)26-4/h5-12,14H,13H2,1-4H3,(H,21,24)
InChIKeyGTRXXZUCXUIFTA-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.93
Rot. Bonds7

About 2-(N-acetyl-2,5-dimethoxyanilino)-N-(1-phenylethyl)acetamide

2-(N-acetyl-2,5-dimethoxyanilino)-N-(1-phenylethyl)acetamide (PubChem CID 113174532) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(N-acetyl-2,5-dimethoxyanilino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,5-dimethoxyanilino)-N-(1-phenylethyl)acetamide
PubChem CID113174532
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-(N-acetyl-2,5-dimethoxyanilino)-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NC(C)c2ccccc2)C(C)=O)c1
InChIInChI=1S/C20H24N2O4/c1-14(16-8-6-5-7-9-16)21-20(24)13-22(15(2)23)18-12-17(25-3)10-11-19(18)26-4/h5-12,14H,13H2,1-4H3,(H,21,24)
InChIKeyGTRXXZUCXUIFTA-UHFFFAOYSA-N
XLogP2.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(1-phenylethyl)acetamide
CID 2889683
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 113174587
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 100749746
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2,6-dichlorophenyl)acetamide
CID 113174647
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2-ethoxyphenyl)acetamide
CID 113174616
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2-tert-butylphenyl)acetamide
CID 113174598
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 93488377
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43910376
2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113174542
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide
CID 113171855
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43902149

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,5-dimethoxyanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,5-dimethoxyanilino)-N-(1-phenylethyl)acetamide (CID 113174532) is 2-(N-acetyl-2,5-dimethoxyanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,5-dimethoxyanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,5-dimethoxyanilino)-N-(1-phenylethyl)acetamide is COc1ccc(OC)c(N(CC(=O)NC(C)c2ccccc2)C(C)=O)c1.
What is the InChIKey of 2-(N-acetyl-2,5-dimethoxyanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is GTRXXZUCXUIFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14(16-8-6-5-7-9-16)21-20(24)13-22(15(2)23)18-12-17(25-3)10-11-19(18)26-4/h5-12,14H,13H2,1-4H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2,5-dimethoxyanilino)-N-(1-phenylethyl)acetamide?
2-(N-acetyl-2,5-dimethoxyanilino)-N-(1-phenylethyl)acetamide has a molecular weight of 356.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,5-dimethoxyanilino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 113174532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).