N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

C15H21N5O3 — CID 775376

IUPACN-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)NC2CCCCC2)n(C)c1=O
InChIInChI=1S/C15H21N5O3/c1-18-13-12(14(22)19(2)15(18)23)20(9-16-13)8-11(21)17-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,17,21)
InChIKeyFQXXUVFUWQGLPR-UHFFFAOYSA-N
MW319.37 g/mol
LogP-0.12
Rot. Bonds3

About N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (PubChem CID 775376) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
PubChem CID775376
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC NameN-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)NC2CCCCC2)n(C)c1=O
InChIInChI=1S/C15H21N5O3/c1-18-13-12(14(22)19(2)15(18)23)20(9-16-13)8-11(21)17-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,17,21)
InChIKeyFQXXUVFUWQGLPR-UHFFFAOYSA-N
XLogP-0.12
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (CID 775376) is N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is Cn1c(=O)c2c(ncn2CC(=O)NC2CCCCC2)n(C)c1=O.
What is the InChIKey of N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The InChIKey is FQXXUVFUWQGLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-18-13-12(14(22)19(2)15(18)23)20(9-16-13)8-11(21)17-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,17,21).
What are the key properties of N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide has a molecular weight of 319.37 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is sourced from PubChem (CID 775376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).