4-[9-[7-(hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide

C23H29N7O4 — CID 118374541

IUPAC4-[9-[7-(hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)cc1
InChIInChI=1S/C23H29N7O4/c24-20(32)16-6-8-17(9-7-16)21-26-22(29-11-13-34-14-12-29)19-23(27-21)30(15-25-19)10-4-2-1-3-5-18(31)28-33/h6-9,15,33H,1-5,10-14H2,(H2,24,32)(H,28,31)
InChIKeyMTKMJDNBKXJUGR-UHFFFAOYSA-N
MW467.53 g/mol
LogP1.88
Rot. Bonds10

About 4-[9-[7-(hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide

4-[9-[7-(hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide (PubChem CID 118374541) has the molecular formula C23H29N7O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is 4-[9-[7-(hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide.

Molecular Properties

Compound Name4-[9-[7-(hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide
PubChem CID118374541
Molecular FormulaC23H29N7O4
Molecular Weight467.53 g/mol
Exact Mass467.23
IUPAC Name4-[9-[7-(hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)cc1
InChIInChI=1S/C23H29N7O4/c24-20(32)16-6-8-17(9-7-16)21-26-22(29-11-13-34-14-12-29)19-23(27-21)30(15-25-19)10-4-2-1-3-5-18(31)28-33/h6-9,15,33H,1-5,10-14H2,(H2,24,32)(H,28,31)
InChIKeyMTKMJDNBKXJUGR-UHFFFAOYSA-N
XLogP1.88
TPSA148.49 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[9-[7-(hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide?
The IUPAC name of 4-[9-[7-(hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide (CID 118374541) is 4-[9-[7-(hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide.
What is the SMILES notation for 4-[9-[7-(hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide?
The canonical SMILES for 4-[9-[7-(hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide is NC(=O)c1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)cc1.
What is the InChIKey of 4-[9-[7-(hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide?
The InChIKey is MTKMJDNBKXJUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O4/c24-20(32)16-6-8-17(9-7-16)21-26-22(29-11-13-34-14-12-29)19-23(27-21)30(15-25-19)10-4-2-1-3-5-18(31)28-33/h6-9,15,33H,1-5,10-14H2,(H2,24,32)(H,28,31).
What are the key properties of 4-[9-[7-(hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide?
4-[9-[7-(hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide has a molecular weight of 467.53 g/mol, XLogP of 1.88, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[7-(hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide is sourced from PubChem (CID 118374541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).