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

C21H26N2O5 — CID 113179163

IUPAC2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide
SMILESCOc1cc(N(CC(=O)Nc2cc(C)cc(C)c2)C(C)=O)cc(OC)c1OC
InChIInChI=1S/C21H26N2O5/c1-13-7-14(2)9-16(8-13)22-20(25)12-23(15(3)24)17-10-18(26-4)21(28-6)19(11-17)27-5/h7-11H,12H2,1-6H3,(H,22,25)
InChIKeyVQKDRUHLGHSCEI-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.32
Rot. Bonds7

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

2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 113179163) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide
PubChem CID113179163
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide
SMILESCOc1cc(N(CC(=O)Nc2cc(C)cc(C)c2)C(C)=O)cc(OC)c1OC
InChIInChI=1S/C21H26N2O5/c1-13-7-14(2)9-16(8-13)22-20(25)12-23(15(3)24)17-10-18(26-4)21(28-6)19(11-17)27-5/h7-11H,12H2,1-6H3,(H,22,25)
InChIKeyVQKDRUHLGHSCEI-UHFFFAOYSA-N
XLogP3.32
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113167430
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113181914
2-(N-acetyl-3,5-dimethylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113168527
2-(N-acetyl-3,5-dimethylanilino)-N-(3-methylphenyl)acetamide
CID 113168520
2-(N-acetyl-4-ethylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113169304
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide
CID 113179147
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide
CID 113179180
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113174903
2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide
CID 113168572
2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide
CID 113168546
2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113181116
3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113123896

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide (CID 113179163) is 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide is COc1cc(N(CC(=O)Nc2cc(C)cc(C)c2)C(C)=O)cc(OC)c1OC.
What is the InChIKey of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is VQKDRUHLGHSCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-13-7-14(2)9-16(8-13)22-20(25)12-23(15(3)24)17-10-18(26-4)21(28-6)19(11-17)27-5/h7-11H,12H2,1-6H3,(H,22,25).
What are the key properties of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide?
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 386.45 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 113179163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).