4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide

C20H23N5O3 — CID 52933189

IUPAC4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide
SMILESCCCn1c(Oc2ccc(C(N)=O)cc2)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C20H23N5O3/c1-2-11-25-19(27)15-18(23-17(22-15)13-5-3-4-6-13)24-20(25)28-14-9-7-12(8-10-14)16(21)26/h7-10,13H,2-6,11H2,1H3,(H2,21,26)(H,22,23)
InChIKeyLJMUIENAFMGNLX-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.08
Rot. Bonds6

About 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide

4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide (PubChem CID 52933189) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide.

Molecular Properties

Compound Name4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide
PubChem CID52933189
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide
SMILESCCCn1c(Oc2ccc(C(N)=O)cc2)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C20H23N5O3/c1-2-11-25-19(27)15-18(23-17(22-15)13-5-3-4-6-13)24-20(25)28-14-9-7-12(8-10-14)16(21)26/h7-10,13H,2-6,11H2,1H3,(H2,21,26)(H,22,23)
InChIKeyLJMUIENAFMGNLX-UHFFFAOYSA-N
XLogP3.08
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide?
The IUPAC name of 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide (CID 52933189) is 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide.
What is the SMILES notation for 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide?
The canonical SMILES for 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide is CCCn1c(Oc2ccc(C(N)=O)cc2)nc2nc(C3CCCC3)[nH]c2c1=O.
What is the InChIKey of 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide?
The InChIKey is LJMUIENAFMGNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-2-11-25-19(27)15-18(23-17(22-15)13-5-3-4-6-13)24-20(25)28-14-9-7-12(8-10-14)16(21)26/h7-10,13H,2-6,11H2,1H3,(H2,21,26)(H,22,23).
What are the key properties of 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide?
4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide has a molecular weight of 381.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide is sourced from PubChem (CID 52933189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).