2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide

C20H25N3O4 — CID 121120790

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCc1ncn(CCNC(=O)COc2cccc3c2OC(C)(C)C3)c(=O)c1C
InChIInChI=1S/C20H25N3O4/c1-13-14(2)22-12-23(19(13)25)9-8-21-17(24)11-26-16-7-5-6-15-10-20(3,4)27-18(15)16/h5-7,12H,8-11H2,1-4H3,(H,21,24)
InChIKeyMHIJYGCYIJHXSK-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.77
Rot. Bonds6

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide (PubChem CID 121120790) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
PubChem CID121120790
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCc1ncn(CCNC(=O)COc2cccc3c2OC(C)(C)C3)c(=O)c1C
InChIInChI=1S/C20H25N3O4/c1-13-14(2)22-12-23(19(13)25)9-8-21-17(24)11-26-16-7-5-6-15-10-20(3,4)27-18(15)16/h5-7,12H,8-11H2,1-4H3,(H,21,24)
InChIKeyMHIJYGCYIJHXSK-UHFFFAOYSA-N
XLogP1.77
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide
CID 91818515
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]ethyl-dimethylazanium
CID 7858818
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
CID 86266333
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3-phenylpropyl)acetamide
CID 8551560
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 121120758
N-[2-(2-chlorophenoxy)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 4918924
N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90578518
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide
CID 90508295
N-[(2,6-difluorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8551831
N-[(2-chlorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 9165272
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 72718489
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 31520101

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide (CID 121120790) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide is Cc1ncn(CCNC(=O)COc2cccc3c2OC(C)(C)C3)c(=O)c1C.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The InChIKey is MHIJYGCYIJHXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13-14(2)22-12-23(19(13)25)9-8-21-17(24)11-26-16-7-5-6-15-10-20(3,4)27-18(15)16/h5-7,12H,8-11H2,1-4H3,(H,21,24).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121120790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).