N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide

C17H19N5O3 — CID 67501328

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cn2cnc3c2cnc(=O)n3C)cc1
InChIInChI=1S/C17H19N5O3/c1-21-16-14(9-19-17(21)24)22(11-20-16)10-15(23)18-8-7-12-3-5-13(25-2)6-4-12/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,23)
InChIKeyVNGQESIQFGGXRD-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.50
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide (PubChem CID 67501328) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide
PubChem CID67501328
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cn2cnc3c2cnc(=O)n3C)cc1
InChIInChI=1S/C17H19N5O3/c1-21-16-14(9-19-17(21)24)22(11-20-16)10-15(23)18-8-7-12-3-5-13(25-2)6-4-12/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,23)
InChIKeyVNGQESIQFGGXRD-UHFFFAOYSA-N
XLogP0.50
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 27559368
N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 24670187
N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide
CID 122635897
2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3577760
N-[2-(4-methoxyphenyl)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26644201
N-[2-(4-methoxyphenyl)ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 47017281
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
N-[2-(4-ethylphenyl)ethyl]-2-(6-hydroxy-4,5-dimethylpyrrolo[2,3-d]imidazol-1-yl)acetamide
CID 123202334
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2701039
3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 39378134
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 4844140

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide (CID 67501328) is N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide is COc1ccc(CCNC(=O)Cn2cnc3c2cnc(=O)n3C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide?
The InChIKey is VNGQESIQFGGXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-21-16-14(9-19-17(21)24)22(11-20-16)10-15(23)18-8-7-12-3-5-13(25-2)6-4-12/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide is sourced from PubChem (CID 67501328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).