N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

C22H27NO5 — CID 8551546

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCOc1ccc(CCNC(=O)COc2cccc3c2OC(C)(C)C3)cc1OC
InChIInChI=1S/C22H27NO5/c1-22(2)13-16-6-5-7-18(21(16)28-22)27-14-20(24)23-11-10-15-8-9-17(25-3)19(12-15)26-4/h5-9,12H,10-11,13-14H2,1-4H3,(H,23,24)
InChIKeyZNUBOPUPWNDGIW-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.15
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (PubChem CID 8551546) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
PubChem CID8551546
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCOc1ccc(CCNC(=O)COc2cccc3c2OC(C)(C)C3)cc1OC
InChIInChI=1S/C22H27NO5/c1-22(2)13-16-6-5-7-18(21(16)28-22)27-14-20(24)23-11-10-15-8-9-17(25-3)19(12-15)26-4/h5-9,12H,10-11,13-14H2,1-4H3,(H,23,24)
InChIKeyZNUBOPUPWNDGIW-UHFFFAOYSA-N
XLogP3.15
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (CID 8551546) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is COc1ccc(CCNC(=O)COc2cccc3c2OC(C)(C)C3)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The InChIKey is ZNUBOPUPWNDGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-22(2)13-16-6-5-7-18(21(16)28-22)27-14-20(24)23-11-10-15-8-9-17(25-3)19(12-15)26-4/h5-9,12H,10-11,13-14H2,1-4H3,(H,23,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide has a molecular weight of 385.46 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is sourced from PubChem (CID 8551546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).