4-[3-(9-ethyl-2-morpholin-4-ylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[3-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-methyl-4-[3-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide

C115H148N32O13 — CID 158563148

About 4-[3-(9-ethyl-2-morpholin-4-ylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[3-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-methyl-4-[3-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide

4-[3-(9-ethyl-2-morpholin-4-ylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[3-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-methyl-4-[3-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide (PubChem CID 158563148) has the molecular formula C115H148N32O13 and a molecular weight of 2186.66 g/mol. Its IUPAC name is 4-[3-(9-ethyl-2-morpholin-4-ylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[3-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-methyl-4-[3-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide.

Molecular Properties

• Compound Name: 4-[3-(9-ethyl-2-morpholin-4-ylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[3-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-methyl-4-[3-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide
• PubChem CID: 158563148
• Molecular Formula: C115H148N32O13
• Molecular Weight: 2186.66 g/mol
• Exact Mass: 2185.19
• IUPAC Name: 4-[3-(9-ethyl-2-morpholin-4-ylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[3-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-methyl-4-[3-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide
• SMILES: C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(C(N)=O)cc3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(C(N)=O)c3)nc21)NO.CCCn1cnc2c(-c3cccc(OCCCC(=O)NC)c3)nc(N3CCCC3)nc21.CCn1cnc2c(-c3cccc(OCCCC(=O)NC)c3)nc(N3CCCC3)nc21.CCn1cnc2c(-c3cccc(OCCCC(=O)NC)c3)nc(N3CCOCC3)nc21
• InChI: InChI=1S/2C24H31N7O3.C23H30N6O2.C22H28N6O3.C22H28N6O2/c1-17(29-33)7-4-2-3-5-10-31-16-26-20-23(30-11-13-34-14-12-30)27-22(28-24(20)31)19-9-6-8-18(15-19)21(25)32;1-17(29-33)6-4-2-3-5-11-31-16-26-20-23(30-12-14-34-15-13-30)27-22(28-24(20)31)19-9-7-18(8-10-19)21(25)32;1-3-11-29-16-25-21-20(26-23(27-22(21)29)28-12-4-5-13-28)17-8-6-9-18(15-17)31-14-7-10-19(30)24-2;1-3-27-15-24-20-19(25-22(26-21(20)27)28-9-12-30-13-10-28)16-6-4-7-17(14-16)31-11-5-8-18(29)23-2;1-3-27-15-24-20-19(25-22(26-21(20)27)28-11-4-5-12-28)16-8-6-9-17(14-16)30-13-7-10-18(29)23-2/h6,8-9,15-16,29,33H,1-5,7,10-14H2,(H2,25,32);7-10,16,29,33H,1-6,11-15H2,(H2,25,32);6,8-9,15-16H,3-5,7,10-14H2,1-2H3,(H,24,30);4,6-7,14-15H,3,5,8-13H2,1-2H3,(H,23,29);6,8-9,14-15H,3-5,7,10-13H2,1-2H3,(H,23,29)
• InChIKey: HRDGDSJUQREDED-UHFFFAOYSA-N
• XLogP: 14.43
• TPSA: 527.58 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 47
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2186.66
LogP ≤ 5	14.43
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9-ethyl-2-morpholin-4-ylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[3-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-methyl-4-[3-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide?

The IUPAC name of 4-[3-(9-ethyl-2-morpholin-4-ylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[3-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-methyl-4-[3-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide (CID 158563148) is 4-[3-(9-ethyl-2-morpholin-4-ylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[3-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-methyl-4-[3-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide.

What is the SMILES notation for 4-[3-(9-ethyl-2-morpholin-4-ylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[3-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-methyl-4-[3-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide?

The canonical SMILES for 4-[3-(9-ethyl-2-morpholin-4-ylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[3-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-methyl-4-[3-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide is C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(C(N)=O)cc3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(C(N)=O)c3)nc21)NO.CCCn1cnc2c(-c3cccc(OCCCC(=O)NC)c3)nc(N3CCCC3)nc21.CCn1cnc2c(-c3cccc(OCCCC(=O)NC)c3)nc(N3CCCC3)nc21.CCn1cnc2c(-c3cccc(OCCCC(=O)NC)c3)nc(N3CCOCC3)nc21.

What is the InChIKey of 4-[3-(9-ethyl-2-morpholin-4-ylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[3-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-methyl-4-[3-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide?

The InChIKey is HRDGDSJUQREDED-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H31N7O3.C23H30N6O2.C22H28N6O3.C22H28N6O2/c1-17(29-33)7-4-2-3-5-10-31-16-26-20-23(30-11-13-34-14-12-30)27-22(28-24(20)31)19-9-6-8-18(15-19)21(25)32;1-17(29-33)6-4-2-3-5-11-31-16-26-20-23(30-12-14-34-15-13-30)27-22(28-24(20)31)19-9-7-18(8-10-19)21(25)32;1-3-11-29-16-25-21-20(26-23(27-22(21)29)28-12-4-5-13-28)17-8-6-9-18(15-17)31-14-7-10-19(30)24-2;1-3-27-15-24-20-19(25-22(26-21(20)27)28-9-12-30-13-10-28)16-6-4-7-17(14-16)31-11-5-8-18(29)23-2;1-3-27-15-24-20-19(25-22(26-21(20)27)28-11-4-5-12-28)16-8-6-9-17(14-16)30-13-7-10-18(29)23-2/h6,8-9,15-16,29,33H,1-5,7,10-14H2,(H2,25,32);7-10,16,29,33H,1-6,11-15H2,(H2,25,32);6,8-9,15-16H,3-5,7,10-14H2,1-2H3,(H,24,30);4,6-7,14-15H,3,5,8-13H2,1-2H3,(H,23,29);6,8-9,14-15H,3-5,7,10-13H2,1-2H3,(H,23,29).

What are the key properties of 4-[3-(9-ethyl-2-morpholin-4-ylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[3-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-methyl-4-[3-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide?

4-[3-(9-ethyl-2-morpholin-4-ylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[3-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-methyl-4-[3-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide has a molecular weight of 2186.66 g/mol, XLogP of 14.43, 47 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(9-ethyl-2-morpholin-4-ylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[3-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-methyl-4-[3-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide is sourced from PubChem (CID 158563148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).