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

C17H25N5O4 — CID 69080558

IUPACN-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-hydroxyethyl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)N(CCO)C2CCCCC2)n(C)c1=O
InChIInChI=1S/C17H25N5O4/c1-19-15-14(16(25)20(2)17(19)26)21(11-18-15)10-13(24)22(8-9-23)12-6-4-3-5-7-12/h11-12,23H,3-10H2,1-2H3
InChIKeyOZBLOCSDOIBLLG-UHFFFAOYSA-N
MW363.42 g/mol
LogP-0.41
Rot. Bonds5

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

N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 69080558) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID69080558
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC NameN-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-hydroxyethyl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)N(CCO)C2CCCCC2)n(C)c1=O
InChIInChI=1S/C17H25N5O4/c1-19-15-14(16(25)20(2)17(19)26)21(11-18-15)10-13(24)22(8-9-23)12-6-4-3-5-7-12/h11-12,23H,3-10H2,1-2H3
InChIKeyOZBLOCSDOIBLLG-UHFFFAOYSA-N
XLogP-0.41
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 40656576
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 90554799
[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 4240792
7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 46898190
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide
CID 4875317
N-benzyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41083335
7-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 40809617
N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 67522145
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-propan-2-ylacetamide
CID 694655
7-(15-hydroxypentadecyl)-1,3-dimethylpurine-2,6-dione
CID 67820115
(3S)-1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidine-3-carboxylic acid
CID 92659273
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 40919722

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-hydroxyethyl)acetamide (CID 69080558) is N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-hydroxyethyl)acetamide is Cn1c(=O)c2c(ncn2CC(=O)N(CCO)C2CCCCC2)n(C)c1=O.
What is the InChIKey of N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is OZBLOCSDOIBLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-19-15-14(16(25)20(2)17(19)26)21(11-18-15)10-13(24)22(8-9-23)12-6-4-3-5-7-12/h11-12,23H,3-10H2,1-2H3.
What are the key properties of N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-hydroxyethyl)acetamide?
N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 363.42 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 69080558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).