2-(1,3-dimethyl-2,6-dioxo-8,9-dihydropurin-7-yl)-N-(1-phenylpropyl)acetamide

C18H23N5O3 — CID 129289957

IUPAC2-(1,3-dimethyl-2,6-dioxo-8,9-dihydropurin-7-yl)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CN1CNc2c1c(=O)n(C)c(=O)n2C)c1ccccc1
InChIInChI=1S/C18H23N5O3/c1-4-13(12-8-6-5-7-9-12)20-14(24)10-23-11-19-16-15(23)17(25)22(3)18(26)21(16)2/h5-9,13,19H,4,10-11H2,1-3H3,(H,20,24)
InChIKeyREDDKCHTJHJXBW-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.54
Rot. Bonds5

About 2-(1,3-dimethyl-2,6-dioxo-8,9-dihydropurin-7-yl)-N-(1-phenylpropyl)acetamide

2-(1,3-dimethyl-2,6-dioxo-8,9-dihydropurin-7-yl)-N-(1-phenylpropyl)acetamide (PubChem CID 129289957) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxo-8,9-dihydropurin-7-yl)-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxo-8,9-dihydropurin-7-yl)-N-(1-phenylpropyl)acetamide
PubChem CID129289957
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-(1,3-dimethyl-2,6-dioxo-8,9-dihydropurin-7-yl)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CN1CNc2c1c(=O)n(C)c(=O)n2C)c1ccccc1
InChIInChI=1S/C18H23N5O3/c1-4-13(12-8-6-5-7-9-12)20-14(24)10-23-11-19-16-15(23)17(25)22(3)18(26)21(16)2/h5-9,13,19H,4,10-11H2,1-3H3,(H,20,24)
InChIKeyREDDKCHTJHJXBW-UHFFFAOYSA-N
XLogP0.54
TPSA88.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxo-8,9-dihydropurin-7-yl)-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxo-8,9-dihydropurin-7-yl)-N-(1-phenylpropyl)acetamide (CID 129289957) is 2-(1,3-dimethyl-2,6-dioxo-8,9-dihydropurin-7-yl)-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxo-8,9-dihydropurin-7-yl)-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxo-8,9-dihydropurin-7-yl)-N-(1-phenylpropyl)acetamide is CCC(NC(=O)CN1CNc2c1c(=O)n(C)c(=O)n2C)c1ccccc1.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxo-8,9-dihydropurin-7-yl)-N-(1-phenylpropyl)acetamide?
The InChIKey is REDDKCHTJHJXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-4-13(12-8-6-5-7-9-12)20-14(24)10-23-11-19-16-15(23)17(25)22(3)18(26)21(16)2/h5-9,13,19H,4,10-11H2,1-3H3,(H,20,24).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxo-8,9-dihydropurin-7-yl)-N-(1-phenylpropyl)acetamide?
2-(1,3-dimethyl-2,6-dioxo-8,9-dihydropurin-7-yl)-N-(1-phenylpropyl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxo-8,9-dihydropurin-7-yl)-N-(1-phenylpropyl)acetamide is sourced from PubChem (CID 129289957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).