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

C20H22N2O5 — CID 113174936

IUPAC2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C(C)=O)cc2)C(C)=O)cc1OC
InChIInChI=1S/C20H22N2O5/c1-13(23)15-5-7-16(8-6-15)21-20(25)12-22(14(2)24)17-9-10-18(26-3)19(11-17)27-4/h5-11H,12H2,1-4H3,(H,21,25)
InChIKeyBECILFXCELOOOE-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.90
Rot. Bonds7

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

2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide (PubChem CID 113174936) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide
PubChem CID113174936
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C(C)=O)cc2)C(C)=O)cc1OC
InChIInChI=1S/C20H22N2O5/c1-13(23)15-5-7-16(8-6-15)21-20(25)12-22(14(2)24)17-9-10-18(26-3)19(11-17)27-4/h5-11H,12H2,1-4H3,(H,21,25)
InChIKeyBECILFXCELOOOE-UHFFFAOYSA-N
XLogP2.90
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167201
2-(N-acetyl-4-ethylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113169343
2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide
CID 113168572
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113174903
2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide
CID 113174873
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide
CID 113174824
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide
CID 113176766
N-(4-acetylphenyl)-2-[N-acetyl-3-(trifluoromethyl)anilino]acetamide
CID 113175214
3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide
CID 113130291
methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
CID 113176421
methyl 4-[acetyl-[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 113176469
N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide
CID 113172756

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide (CID 113174936) is 2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2ccc(C(C)=O)cc2)C(C)=O)cc1OC.
What is the InChIKey of 2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide?
The InChIKey is BECILFXCELOOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13(23)15-5-7-16(8-6-15)21-20(25)12-22(14(2)24)17-9-10-18(26-3)19(11-17)27-4/h5-11H,12H2,1-4H3,(H,21,25).
What are the key properties of 2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide?
2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.90, 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-dimethoxyanilino)-N-(4-acetylphenyl)acetamide is sourced from PubChem (CID 113174936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).