3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(dicyclopropylmethyl)propanamide

C24H37N5O3 — CID 30263752

IUPAC3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(dicyclopropylmethyl)propanamide
SMILESCCCCCn1c(CCC(=O)NC(C2CC2)C2CC2)nc2c1c(=O)[nH]c(=O)n2CCCC
InChIInChI=1S/C24H37N5O3/c1-3-5-7-15-28-18(12-13-19(30)26-20(16-8-9-16)17-10-11-17)25-22-21(28)23(31)27-24(32)29(22)14-6-4-2/h16-17,20H,3-15H2,1-2H3,(H,26,30)(H,27,31,32)
InChIKeyZNOCTXHXBLRNGK-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.11
Rot. Bonds13

About 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(dicyclopropylmethyl)propanamide

3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(dicyclopropylmethyl)propanamide (PubChem CID 30263752) has the molecular formula C24H37N5O3 and a molecular weight of 443.59 g/mol. Its IUPAC name is 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(dicyclopropylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(dicyclopropylmethyl)propanamide
PubChem CID30263752
Molecular FormulaC24H37N5O3
Molecular Weight443.59 g/mol
Exact Mass443.29
IUPAC Name3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(dicyclopropylmethyl)propanamide
SMILESCCCCCn1c(CCC(=O)NC(C2CC2)C2CC2)nc2c1c(=O)[nH]c(=O)n2CCCC
InChIInChI=1S/C24H37N5O3/c1-3-5-7-15-28-18(12-13-19(30)26-20(16-8-9-16)17-10-11-17)25-22-21(28)23(31)27-24(32)29(22)14-6-4-2/h16-17,20H,3-15H2,1-2H3,(H,26,30)(H,27,31,32)
InChIKeyZNOCTXHXBLRNGK-UHFFFAOYSA-N
XLogP3.11
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(4-methylcyclohexyl)propanamide
CID 42997489
3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(cyclopentylmethyl)propanamide
CID 43067680
3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(cyclohexylmethyl)-N-methylpropanamide
CID 43057444
3-(7-butyl-2,6-dioxo-3-propylpurin-8-yl)propanoate
CID 7024303
methyl 4-[3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoylamino]benzoate
CID 26098092
3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(2-methylpropyl)propanamide
CID 27538992
3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(2,6-difluorophenyl)propanamide
CID 55345889
3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(2-methoxyphenyl)propanamide
CID 26914779
N-butyl-3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-ethylpropanamide
CID 35824765
3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 26864801
3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 27554231
[2-oxo-2-(pentylamino)ethyl] 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanoate
CID 34708940

Frequently Asked Questions

What is the IUPAC name of 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(dicyclopropylmethyl)propanamide?
The IUPAC name of 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(dicyclopropylmethyl)propanamide (CID 30263752) is 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(dicyclopropylmethyl)propanamide.
What is the SMILES notation for 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(dicyclopropylmethyl)propanamide?
The canonical SMILES for 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(dicyclopropylmethyl)propanamide is CCCCCn1c(CCC(=O)NC(C2CC2)C2CC2)nc2c1c(=O)[nH]c(=O)n2CCCC.
What is the InChIKey of 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(dicyclopropylmethyl)propanamide?
The InChIKey is ZNOCTXHXBLRNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O3/c1-3-5-7-15-28-18(12-13-19(30)26-20(16-8-9-16)17-10-11-17)25-22-21(28)23(31)27-24(32)29(22)14-6-4-2/h16-17,20H,3-15H2,1-2H3,(H,26,30)(H,27,31,32).
What are the key properties of 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(dicyclopropylmethyl)propanamide?
3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(dicyclopropylmethyl)propanamide has a molecular weight of 443.59 g/mol, XLogP of 3.11, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(dicyclopropylmethyl)propanamide is sourced from PubChem (CID 30263752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).