N-benzyl-N-ethyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]acetamide

C24H24FN5O2 — CID 44582188

IUPACN-benzyl-N-ethyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CCF)c2cnc(-c3ccccc3)nc21
InChIInChI=1S/C24H24FN5O2/c1-2-28(16-18-9-5-3-6-10-18)21(31)17-30-23-20(29(14-13-25)24(30)32)15-26-22(27-23)19-11-7-4-8-12-19/h3-12,15H,2,13-14,16-17H2,1H3
InChIKeyDCRSPOGUAKBGJJ-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.28
Rot. Bonds8

About N-benzyl-N-ethyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]acetamide

N-benzyl-N-ethyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]acetamide (PubChem CID 44582188) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]acetamide
PubChem CID44582188
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC NameN-benzyl-N-ethyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CCF)c2cnc(-c3ccccc3)nc21
InChIInChI=1S/C24H24FN5O2/c1-2-28(16-18-9-5-3-6-10-18)21(31)17-30-23-20(29(14-13-25)24(30)32)15-26-22(27-23)19-11-7-4-8-12-19/h3-12,15H,2,13-14,16-17H2,1H3
InChIKeyDCRSPOGUAKBGJJ-UHFFFAOYSA-N
XLogP3.28
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-benzyl-N-ethyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Emapunil
CID 6433109
1-benzyl-3-propyl-1H,3H-pyrido(2,1-f)purine-2,4-dione
CID 10359522
(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-2-(2-Phenyl-1h-Imidazol-1-Yl)-7,8-Dihydropteridin-6(5h)-One
CID 58405631
7-[(1~{s})-1-(4-Fluorophenyl)ethyl]-5,5-Dimethyl-2-(Pyridin-3-Ylamino)pyrrolo[2,3-D]pyrimidin-6-One
CID 127021001
N-Benzyl-N-ethyl-2-(7-11C-methyl-8-oxo-2-phenyl-7,8-dihydro-9H-purin-9-yl)acetamide
CID 23624221
N-benzyl-N-(2-fluoroethyl)-2-(7-methyl-8-oxo-2-phenyl-7H-purin-9(8H)-yl)acetamide
CID 44582190
N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 53474010
N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 53474011
N-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 53474095
1-Benzyl-3-ethyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 11056301
2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(phenylmethyl)-N-(2-pyridinyl)acetamide
CID 648426
N-(5-Methyl-imidazo[1,2-a]pyridin-6-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9802758

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]acetamide (CID 44582188) is N-benzyl-N-ethyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]acetamide is CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CCF)c2cnc(-c3ccccc3)nc21.
What is the InChIKey of N-benzyl-N-ethyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]acetamide?
The InChIKey is DCRSPOGUAKBGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-2-28(16-18-9-5-3-6-10-18)21(31)17-30-23-20(29(14-13-25)24(30)32)15-26-22(27-23)19-11-7-4-8-12-19/h3-12,15H,2,13-14,16-17H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]acetamide?
N-benzyl-N-ethyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]acetamide has a molecular weight of 433.49 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenylpurin-9-yl]acetamide is sourced from PubChem (CID 44582188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).