2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide

C20H21N3O5 — CID 113179180

IUPAC2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide
SMILESCOc1cc(N(CC(=O)Nc2ccccc2C#N)C(C)=O)cc(OC)c1OC
InChIInChI=1S/C20H21N3O5/c1-13(24)23(12-19(25)22-16-8-6-5-7-14(16)11-21)15-9-17(26-2)20(28-4)18(10-15)27-3/h5-10H,12H2,1-4H3,(H,22,25)
InChIKeyHLVFDVJTXSVLRT-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.58
Rot. Bonds7

About 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide

2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide (PubChem CID 113179180) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide
PubChem CID113179180
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide
SMILESCOc1cc(N(CC(=O)Nc2ccccc2C#N)C(C)=O)cc(OC)c1OC
InChIInChI=1S/C20H21N3O5/c1-13(24)23(12-19(25)22-16-8-6-5-7-14(16)11-21)15-9-17(26-2)20(28-4)18(10-15)27-3/h5-10H,12H2,1-4H3,(H,22,25)
InChIKeyHLVFDVJTXSVLRT-UHFFFAOYSA-N
XLogP2.58
TPSA100.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-acetyl-3,4-dimethylanilino)-N-(2-cyanophenyl)acetamide
CID 113168421
2-(N-acetyl-3-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113177751
2-(N-acetyl-4-bromoanilino)-N-(2-cyanophenyl)acetamide
CID 113173018
2-(N-acetyl-4-chloroanilino)-N-(2-cyanophenyl)acetamide
CID 113171651
2-(N-acetyl-4-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113171090
2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide
CID 113177507
2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-cyanophenyl)acetamide
CID 113173097
2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide
CID 113178206
2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113181547
2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 113180958
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113179163
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide
CID 113129674

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide (CID 113179180) is 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide is COc1cc(N(CC(=O)Nc2ccccc2C#N)C(C)=O)cc(OC)c1OC.
What is the InChIKey of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide?
The InChIKey is HLVFDVJTXSVLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-13(24)23(12-19(25)22-16-8-6-5-7-14(16)11-21)15-9-17(26-2)20(28-4)18(10-15)27-3/h5-10H,12H2,1-4H3,(H,22,25).
What are the key properties of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide?
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide has a molecular weight of 383.40 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 113179180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).