2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide

C21H26N2O5 — CID 113165374

IUPAC2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(CCc2ccc(OC)c(OC)c2)C(C)=O)cc1
InChIInChI=1S/C21H26N2O5/c1-15(24)23(12-11-16-5-10-19(27-3)20(13-16)28-4)14-21(25)22-17-6-8-18(26-2)9-7-17/h5-10,13H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyXFFOSAHBBUFLKW-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.74
Rot. Bonds9

About 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide

2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide (PubChem CID 113165374) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
PubChem CID113165374
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(CCc2ccc(OC)c(OC)c2)C(C)=O)cc1
InChIInChI=1S/C21H26N2O5/c1-15(24)23(12-11-16-5-10-19(27-3)20(13-16)28-4)14-21(25)22-17-6-8-18(26-2)9-7-17/h5-10,13H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyXFFOSAHBBUFLKW-UHFFFAOYSA-N
XLogP2.74
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113163149
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113164905
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164708
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113164923
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113166031
N-(4-acetamidophenyl)-2-[acetyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 113163156
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 27793346
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8584003
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113164764
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide
CID 113164937
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)acetamide
CID 113163115
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 113163104

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide (CID 113165374) is 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(CCc2ccc(OC)c(OC)c2)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is XFFOSAHBBUFLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-15(24)23(12-11-16-5-10-19(27-3)20(13-16)28-4)14-21(25)22-17-6-8-18(26-2)9-7-17/h5-10,13H,11-12,14H2,1-4H3,(H,22,25).
What are the key properties of 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide?
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 386.45 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 113165374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).