N-cyclohexyl-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetamide

C15H22N5O3+ — CID 74699757

IUPACN-cyclohexyl-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetamide
SMILESCN1C(=O)N(CC(=O)NC2CCCCC2)C(=O)C2C1=NC=[N+]2C
InChIInChI=1S/C15H21N5O3/c1-18-9-16-13-12(18)14(22)20(15(23)19(13)2)8-11(21)17-10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3/p+1
InChIKeyZWMXLKZSDSOORV-UHFFFAOYSA-O
MW320.37 g/mol
LogP-0.22
Rot. Bonds3

About N-cyclohexyl-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetamide

N-cyclohexyl-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetamide (PubChem CID 74699757) has the molecular formula C15H22N5O3+ and a molecular weight of 320.37 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetamide
PubChem CID74699757
Molecular FormulaC15H22N5O3+
Molecular Weight320.37 g/mol
Exact Mass320.17
IUPAC NameN-cyclohexyl-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetamide
SMILESCN1C(=O)N(CC(=O)NC2CCCCC2)C(=O)C2C1=NC=[N+]2C
InChIInChI=1S/C15H21N5O3/c1-18-9-16-13-12(18)14(22)20(15(23)19(13)2)8-11(21)17-10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3/p+1
InChIKeyZWMXLKZSDSOORV-UHFFFAOYSA-O
XLogP-0.22
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-cyclohexyl-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-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

1-butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 44339609
(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)-5H-purin-7-ium-7-yl]propanamide
CID 139269336
(2S)-2-[3-methyl-1-[2-(methylamino)-2-oxoethyl]-2,6-dioxo-5H-purin-7-ium-7-yl]propanamide
CID 139269379
(2S)-2-(1-but-2-ynyl-3-methyl-2,6-dioxo-5H-purin-7-ium-7-yl)propanamide
CID 139269453
2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)-5H-purin-7-ium-7-yl]acetamide
CID 139269498
(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)-5H-purin-7-ium-7-yl]propanamide
CID 139269525
1-(5-Aminohexyl)-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 138963613
8-Heptyl-1,3,7-trimethyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione
CID 172407524
N-(4-acetylimino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide
CID 145918504
1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 59525151
7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione
CID 70129820
1-Methyl-2,4-dioxotetrahydropteridine
CID 70269971

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetamide (CID 74699757) is N-cyclohexyl-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetamide is CN1C(=O)N(CC(=O)NC2CCCCC2)C(=O)C2C1=NC=[N+]2C.
What is the InChIKey of N-cyclohexyl-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetamide?
The InChIKey is ZWMXLKZSDSOORV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N5O3/c1-18-9-16-13-12(18)14(22)20(15(23)19(13)2)8-11(21)17-10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3/p+1.
What are the key properties of N-cyclohexyl-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetamide?
N-cyclohexyl-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetamide has a molecular weight of 320.37 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetamide is sourced from PubChem (CID 74699757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).