2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide

C21H24N2O5 — CID 113165639

IUPAC2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2cccc(C(C)=O)c2)C(C)=O)cc1OC
InChIInChI=1S/C21H24N2O5/c1-14(24)17-6-5-7-18(11-17)22-21(26)13-23(15(2)25)12-16-8-9-19(27-3)20(10-16)28-4/h5-11H,12-13H2,1-4H3,(H,22,26)
InChIKeyKCHQGQXLUQJDTK-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.89
Rot. Bonds8

About 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide

2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide (PubChem CID 113165639) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
PubChem CID113165639
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2cccc(C(C)=O)c2)C(C)=O)cc1OC
InChIInChI=1S/C21H24N2O5/c1-14(24)17-6-5-7-18(11-17)22-21(26)13-23(15(2)25)12-16-8-9-19(27-3)20(10-16)28-4/h5-11H,12-13H2,1-4H3,(H,22,26)
InChIKeyKCHQGQXLUQJDTK-UHFFFAOYSA-N
XLogP2.89
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide
CID 113165654
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113163149
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113161495
N-(3-acetylphenyl)-2-[acetyl(propyl)amino]acetamide
CID 113158044
2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113161287
N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009580
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113162643
N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2406485
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113161867
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55967288
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 113165592
N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109040586

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide (CID 113165639) is 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide is COc1ccc(CN(CC(=O)Nc2cccc(C(C)=O)c2)C(C)=O)cc1OC.
What is the InChIKey of 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide?
The InChIKey is KCHQGQXLUQJDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14(24)17-6-5-7-18(11-17)22-21(26)13-23(15(2)25)12-16-8-9-19(27-3)20(10-16)28-4/h5-11H,12-13H2,1-4H3,(H,22,26).
What are the key properties of 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide?
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide has a molecular weight of 384.43 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide is sourced from PubChem (CID 113165639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).