N-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide

C22H25NO5 — CID 17408178

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(C)c3c2C(=O)CC3C)cc1OC
InChIInChI=1S/C22H25NO5/c1-13-5-7-18(22-16(24)9-14(2)21(13)22)28-12-20(25)23-11-15-6-8-17(26-3)19(10-15)27-4/h5-8,10,14H,9,11-12H2,1-4H3,(H,23,25)
InChIKeySWOKTISRODQGFN-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.40
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide (PubChem CID 17408178) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
PubChem CID17408178
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(C)c3c2C(=O)CC3C)cc1OC
InChIInChI=1S/C22H25NO5/c1-13-5-7-18(22-16(24)9-14(2)21(13)22)28-12-20(25)23-11-15-6-8-17(26-3)19(10-15)27-4/h5-8,10,14H,9,11-12H2,1-4H3,(H,23,25)
InChIKeySWOKTISRODQGFN-UHFFFAOYSA-N
XLogP3.40
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 166369441
N-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
CID 26565052
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 42966353
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide
CID 24582153
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylphenyl)acetamide
CID 24582157
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8917733
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
CID 39971359
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544260
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 43278862
N-(3-bromo-4,5-difluorophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 166369752

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide (CID 17408178) is N-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide is COc1ccc(CNC(=O)COc2ccc(C)c3c2C(=O)CC3C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide?
The InChIKey is SWOKTISRODQGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-13-5-7-18(22-16(24)9-14(2)21(13)22)28-12-20(25)23-11-15-6-8-17(26-3)19(10-15)27-4/h5-8,10,14H,9,11-12H2,1-4H3,(H,23,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide has a molecular weight of 383.44 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide is sourced from PubChem (CID 17408178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).