2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide

C25H26N2O6 — CID 30257849

IUPAC2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide
SMILESCOc1ccc(Oc2cc(NC(=O)c3ccccc3OCC(=O)N(C)C)ccc2OC)cc1
InChIInChI=1S/C25H26N2O6/c1-27(2)24(28)16-32-21-8-6-5-7-20(21)25(29)26-17-9-14-22(31-4)23(15-17)33-19-12-10-18(30-3)11-13-19/h5-15H,16H2,1-4H3,(H,26,29)
InChIKeyFCMYKUXTBGFRAS-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.22
Rot. Bonds9

About 2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide

2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide (PubChem CID 30257849) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide
PubChem CID30257849
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide
SMILESCOc1ccc(Oc2cc(NC(=O)c3ccccc3OCC(=O)N(C)C)ccc2OC)cc1
InChIInChI=1S/C25H26N2O6/c1-27(2)24(28)16-32-21-8-6-5-7-20(21)25(29)26-17-9-14-22(31-4)23(15-17)33-19-12-10-18(30-3)11-13-19/h5-15H,16H2,1-4H3,(H,26,29)
InChIKeyFCMYKUXTBGFRAS-UHFFFAOYSA-N
XLogP4.22
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-methoxyphenyl)benzamide
CID 34815754
2-(2-amino-2-oxoethoxy)-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 24660239
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327287
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 27669306
2-[2-(dimethylamino)-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27666765
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide
CID 30870966
N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 54781407
2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide
CID 18272971
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
2-(2-methoxyethoxy)-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]acetamide
CID 30902018

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide (CID 30257849) is 2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide is COc1ccc(Oc2cc(NC(=O)c3ccccc3OCC(=O)N(C)C)ccc2OC)cc1.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide?
The InChIKey is FCMYKUXTBGFRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-27(2)24(28)16-32-21-8-6-5-7-20(21)25(29)26-17-9-14-22(31-4)23(15-17)33-19-12-10-18(30-3)11-13-19/h5-15H,16H2,1-4H3,(H,26,29).
What are the key properties of 2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide?
2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide has a molecular weight of 450.49 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide is sourced from PubChem (CID 30257849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).