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

C23H37N5O3 — CID 43067680

IUPAC3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(cyclopentylmethyl)propanamide
SMILESCCCCCn1c(CCC(=O)NCC2CCCC2)nc2c1c(=O)[nH]c(=O)n2CCCC
InChIInChI=1S/C23H37N5O3/c1-3-5-9-15-27-18(12-13-19(29)24-16-17-10-7-8-11-17)25-21-20(27)22(30)26-23(31)28(21)14-6-4-2/h17H,3-16H2,1-2H3,(H,24,29)(H,26,30,31)
InChIKeyUOOVGFDFSXAWEQ-UHFFFAOYSA-N
MW431.58 g/mol
LogP3.12
Rot. Bonds12

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

3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(cyclopentylmethyl)propanamide (PubChem CID 43067680) has the molecular formula C23H37N5O3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(cyclopentylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(cyclopentylmethyl)propanamide
PubChem CID43067680
Molecular FormulaC23H37N5O3
Molecular Weight431.58 g/mol
Exact Mass431.29
IUPAC Name3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(cyclopentylmethyl)propanamide
SMILESCCCCCn1c(CCC(=O)NCC2CCCC2)nc2c1c(=O)[nH]c(=O)n2CCCC
InChIInChI=1S/C23H37N5O3/c1-3-5-9-15-27-18(12-13-19(29)24-16-17-10-7-8-11-17)25-21-20(27)22(30)26-23(31)28(21)14-6-4-2/h17H,3-16H2,1-2H3,(H,24,29)(H,26,30,31)
InChIKeyUOOVGFDFSXAWEQ-UHFFFAOYSA-N
XLogP3.12
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.12
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(cyclopentylmethyl)propanamide?
The IUPAC name of 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(cyclopentylmethyl)propanamide (CID 43067680) is 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(cyclopentylmethyl)propanamide.
What is the SMILES notation for 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(cyclopentylmethyl)propanamide?
The canonical SMILES for 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(cyclopentylmethyl)propanamide is CCCCCn1c(CCC(=O)NCC2CCCC2)nc2c1c(=O)[nH]c(=O)n2CCCC.
What is the InChIKey of 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(cyclopentylmethyl)propanamide?
The InChIKey is UOOVGFDFSXAWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O3/c1-3-5-9-15-27-18(12-13-19(29)24-16-17-10-7-8-11-17)25-21-20(27)22(30)26-23(31)28(21)14-6-4-2/h17H,3-16H2,1-2H3,(H,24,29)(H,26,30,31).
What are the key properties of 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(cyclopentylmethyl)propanamide?
3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(cyclopentylmethyl)propanamide has a molecular weight of 431.58 g/mol, XLogP of 3.12, 12 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-(cyclopentylmethyl)propanamide is sourced from PubChem (CID 43067680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).