N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide

C24H24N6O3 — CID 25256054

IUPACN-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cn2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C24H24N6O3/c1-16(31)26-19-7-5-17(6-8-19)14-30-15-25-22-21(18-3-2-4-20(32)13-18)27-24(28-23(22)30)29-9-11-33-12-10-29/h2-8,13,15,32H,9-12,14H2,1H3,(H,26,31)
InChIKeyQQNHWXGXBGWBBW-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.04
Rot. Bonds5

About N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide

N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide (PubChem CID 25256054) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide
PubChem CID25256054
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cn2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C24H24N6O3/c1-16(31)26-19-7-5-17(6-8-19)14-30-15-25-22-21(18-3-2-4-20(32)13-18)27-24(28-23(22)30)29-9-11-33-12-10-29/h2-8,13,15,32H,9-12,14H2,1H3,(H,26,31)
InChIKeyQQNHWXGXBGWBBW-UHFFFAOYSA-N
XLogP3.04
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide (CID 25256054) is N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cn2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)cc1.
What is the InChIKey of N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide?
The InChIKey is QQNHWXGXBGWBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-16(31)26-19-7-5-17(6-8-19)14-30-15-25-22-21(18-3-2-4-20(32)13-18)27-24(28-23(22)30)29-9-11-33-12-10-29/h2-8,13,15,32H,9-12,14H2,1H3,(H,26,31).
What are the key properties of N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide?
N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide has a molecular weight of 444.50 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 25256054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).