N-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide

C15H15N5O2 — CID 139915656

IUPACN-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide
SMILESCCNC(=O)Cn1c(=O)[nH]c2cnc(-c3ccccc3)nc21
InChIInChI=1S/C15H15N5O2/c1-2-16-12(21)9-20-14-11(18-15(20)22)8-17-13(19-14)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,16,21)(H,18,22)
InChIKeyZPKFMFKJRKLRDS-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.92
Rot. Bonds4

About N-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide

N-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide (PubChem CID 139915656) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide
PubChem CID139915656
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide
SMILESCCNC(=O)Cn1c(=O)[nH]c2cnc(-c3ccccc3)nc21
InChIInChI=1S/C15H15N5O2/c1-2-16-12(21)9-20-14-11(18-15(20)22)8-17-13(19-14)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,16,21)(H,18,22)
InChIKeyZPKFMFKJRKLRDS-UHFFFAOYSA-N
XLogP0.92
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-chlorophenyl)-8-oxo-7H-purin-9-yl]-N-methylacetamide
CID 139915667
9-benzyl-2-pyridin-3-yl-7H-purin-8-one
CID 141219426
N-[(4-ethylphenyl)methyl]-2-(1-methyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-3-yl)acetamide
CID 53116477
2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide
CID 15462531
9-[[4-(ethylamino)phenyl]methyl]-2-(2-propan-2-ylphenyl)-7H-purin-8-one
CID 145315505
N-ethyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032718
N-ethyl-2,4-diphenylpyrimidine-5-carboxamide
CID 1470755
N-methyl-4-[[8-oxo-2-(2-propan-2-ylphenyl)-7H-purin-9-yl]methyl]-N-propylbenzamide
CID 129139876
9-[(4-hydroxyphenyl)methyl]-2-(2-propan-2-ylphenyl)-7H-purin-8-one
CID 129139641
4-[benzyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylpyrimidine-5-carboxylic acid
CID 141298259
1-[2-(ethylamino)-2-oxoethyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 113331892
methyl 2-[(9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]acetate
CID 67263722

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide?
The IUPAC name of N-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide (CID 139915656) is N-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide?
The canonical SMILES for N-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide is CCNC(=O)Cn1c(=O)[nH]c2cnc(-c3ccccc3)nc21.
What is the InChIKey of N-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide?
The InChIKey is ZPKFMFKJRKLRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-2-16-12(21)9-20-14-11(18-15(20)22)8-17-13(19-14)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,16,21)(H,18,22).
What are the key properties of N-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide?
N-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide has a molecular weight of 297.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide is sourced from PubChem (CID 139915656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).