2-[8-methoxy-2-(4-methoxyphenyl)purin-9-yl]-N-methyl-N-phenylacetamide

C22H21N5O3 — CID 139956957

IUPAC2-[8-methoxy-2-(4-methoxyphenyl)purin-9-yl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(-c2ncc3nc(OC)n(CC(=O)N(C)c4ccccc4)c3n2)cc1
InChIInChI=1S/C22H21N5O3/c1-26(16-7-5-4-6-8-16)19(28)14-27-21-18(24-22(27)30-3)13-23-20(25-21)15-9-11-17(29-2)12-10-15/h4-13H,14H2,1-3H3
InChIKeyVGXAXFURDAONLT-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.17
Rot. Bonds6

About 2-[8-methoxy-2-(4-methoxyphenyl)purin-9-yl]-N-methyl-N-phenylacetamide

2-[8-methoxy-2-(4-methoxyphenyl)purin-9-yl]-N-methyl-N-phenylacetamide (PubChem CID 139956957) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-[8-methoxy-2-(4-methoxyphenyl)purin-9-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[8-methoxy-2-(4-methoxyphenyl)purin-9-yl]-N-methyl-N-phenylacetamide
PubChem CID139956957
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name2-[8-methoxy-2-(4-methoxyphenyl)purin-9-yl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(-c2ncc3nc(OC)n(CC(=O)N(C)c4ccccc4)c3n2)cc1
InChIInChI=1S/C22H21N5O3/c1-26(16-7-5-4-6-8-16)19(28)14-27-21-18(24-22(27)30-3)13-23-20(25-21)15-9-11-17(29-2)12-10-15/h4-13H,14H2,1-3H3
InChIKeyVGXAXFURDAONLT-UHFFFAOYSA-N
XLogP3.17
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-(8-methylsulfanyl-2-phenylpurin-9-yl)-N-phenylacetamide
CID 139956993
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide
CID 6625938
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 35231408
[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2365643
5-(4-methoxyphenyl)-N-methyl-5-oxo-N-phenylpentanamide
CID 110298230
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 9129867
2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylacetamide
CID 4856146
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16997554
2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979690
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 26676736
N-ethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide
CID 17001382
2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-methyl-N-phenylacetamide
CID 41157813

Frequently Asked Questions

What is the IUPAC name of 2-[8-methoxy-2-(4-methoxyphenyl)purin-9-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[8-methoxy-2-(4-methoxyphenyl)purin-9-yl]-N-methyl-N-phenylacetamide (CID 139956957) is 2-[8-methoxy-2-(4-methoxyphenyl)purin-9-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[8-methoxy-2-(4-methoxyphenyl)purin-9-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[8-methoxy-2-(4-methoxyphenyl)purin-9-yl]-N-methyl-N-phenylacetamide is COc1ccc(-c2ncc3nc(OC)n(CC(=O)N(C)c4ccccc4)c3n2)cc1.
What is the InChIKey of 2-[8-methoxy-2-(4-methoxyphenyl)purin-9-yl]-N-methyl-N-phenylacetamide?
The InChIKey is VGXAXFURDAONLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-26(16-7-5-4-6-8-16)19(28)14-27-21-18(24-22(27)30-3)13-23-20(25-21)15-9-11-17(29-2)12-10-15/h4-13H,14H2,1-3H3.
What are the key properties of 2-[8-methoxy-2-(4-methoxyphenyl)purin-9-yl]-N-methyl-N-phenylacetamide?
2-[8-methoxy-2-(4-methoxyphenyl)purin-9-yl]-N-methyl-N-phenylacetamide has a molecular weight of 403.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-methoxy-2-(4-methoxyphenyl)purin-9-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 139956957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).