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

C17H25N5O3 — CID 41173318

IUPAC(2R)-N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)C1CCCCC1)n1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H25N5O3/c1-11(15(23)19(2)12-8-6-5-7-9-12)22-10-18-14-13(22)16(24)21(4)17(25)20(14)3/h10-12H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyAMAWFRRPIBCPDM-LLVKDONJSA-N
MW347.42 g/mol
LogP0.79
Rot. Bonds3

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

(2R)-N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide (PubChem CID 41173318) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide
PubChem CID41173318
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(2R)-N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)C1CCCCC1)n1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H25N5O3/c1-11(15(23)19(2)12-8-6-5-7-9-12)22-10-18-14-13(22)16(24)21(4)17(25)20(14)3/h10-12H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyAMAWFRRPIBCPDM-LLVKDONJSA-N
XLogP0.79
TPSA82.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide with MolForge

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Related Compounds

(2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoic acid
CID 118471919
(2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide
CID 25324580
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide
CID 4805082
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoyl chloride
CID 123768598
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide
CID 46824514
ethyl (2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate
CID 26433996
N-(1-cyanocyclohexyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 17445489
N-tert-butyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 51237378
(2R)-N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 7856269
N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-hydroxyethyl)acetamide
CID 69080558
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 40656576
7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione
CID 82465577

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide (CID 41173318) is (2R)-N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide is C[C@H](C(=O)N(C)C1CCCCC1)n1cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of (2R)-N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide?
The InChIKey is AMAWFRRPIBCPDM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11(15(23)19(2)12-8-6-5-7-9-12)22-10-18-14-13(22)16(24)21(4)17(25)20(14)3/h10-12H,5-9H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide?
(2R)-N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide has a molecular weight of 347.42 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide is sourced from PubChem (CID 41173318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).