2-[(12S)-2,11-dioxo-13-oxa-3,10,19-triazatetracyclo[16.7.0.04,9.020,25]pentacosa-1(18),4,6,8,20,22,24-heptaen-12-yl]-N-hydroxyacetamide

C23H24N4O5 — CID 88995325

IUPAC2-[(12S)-2,11-dioxo-13-oxa-3,10,19-triazatetracyclo[16.7.0.04,9.020,25]pentacosa-1(18),4,6,8,20,22,24-heptaen-12-yl]-N-hydroxyacetamide
SMILESO=C(C[C@@H]1OCCCCc2[nH]c3ccccc3c2C(=O)Nc2ccccc2NC1=O)NO
InChIInChI=1S/C23H24N4O5/c28-20(27-31)13-19-22(29)25-16-9-3-4-10-17(16)26-23(30)21-14-7-1-2-8-15(14)24-18(21)11-5-6-12-32-19/h1-4,7-10,19,24,31H,5-6,11-13H2,(H,25,29)(H,26,30)(H,27,28)/t19-/m0/s1
InChIKeyXPLYFZSYBWXLDX-IBGZPJMESA-N
MW436.47 g/mol
LogP2.98
Rot. Bonds2

About 2-[(12S)-2,11-dioxo-13-oxa-3,10,19-triazatetracyclo[16.7.0.04,9.020,25]pentacosa-1(18),4,6,8,20,22,24-heptaen-12-yl]-N-hydroxyacetamide

2-[(12S)-2,11-dioxo-13-oxa-3,10,19-triazatetracyclo[16.7.0.04,9.020,25]pentacosa-1(18),4,6,8,20,22,24-heptaen-12-yl]-N-hydroxyacetamide (PubChem CID 88995325) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-[(12S)-2,11-dioxo-13-oxa-3,10,19-triazatetracyclo[16.7.0.04,9.020,25]pentacosa-1(18),4,6,8,20,22,24-heptaen-12-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(12S)-2,11-dioxo-13-oxa-3,10,19-triazatetracyclo[16.7.0.04,9.020,25]pentacosa-1(18),4,6,8,20,22,24-heptaen-12-yl]-N-hydroxyacetamide
PubChem CID88995325
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name2-[(12S)-2,11-dioxo-13-oxa-3,10,19-triazatetracyclo[16.7.0.04,9.020,25]pentacosa-1(18),4,6,8,20,22,24-heptaen-12-yl]-N-hydroxyacetamide
SMILESO=C(C[C@@H]1OCCCCc2[nH]c3ccccc3c2C(=O)Nc2ccccc2NC1=O)NO
InChIInChI=1S/C23H24N4O5/c28-20(27-31)13-19-22(29)25-16-9-3-4-10-17(16)26-23(30)21-14-7-1-2-8-15(14)24-18(21)11-5-6-12-32-19/h1-4,7-10,19,24,31H,5-6,11-13H2,(H,25,29)(H,26,30)(H,27,28)/t19-/m0/s1
InChIKeyXPLYFZSYBWXLDX-IBGZPJMESA-N
XLogP2.98
TPSA132.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 2-[(12S)-2,11-dioxo-13-oxa-3,10,19-triazatetracyclo[16.7.0.04,9.020,25]pentacosa-1(18),4,6,8,20,22,24-heptaen-12-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[(12S)-2,11-dioxo-13-oxa-3,10,19-triazatetracyclo[16.7.0.04,9.020,25]pentacosa-1(18),4,6,8,20,22,24-heptaen-12-yl]-N-hydroxyacetamide (CID 88995325) is 2-[(12S)-2,11-dioxo-13-oxa-3,10,19-triazatetracyclo[16.7.0.04,9.020,25]pentacosa-1(18),4,6,8,20,22,24-heptaen-12-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(12S)-2,11-dioxo-13-oxa-3,10,19-triazatetracyclo[16.7.0.04,9.020,25]pentacosa-1(18),4,6,8,20,22,24-heptaen-12-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[(12S)-2,11-dioxo-13-oxa-3,10,19-triazatetracyclo[16.7.0.04,9.020,25]pentacosa-1(18),4,6,8,20,22,24-heptaen-12-yl]-N-hydroxyacetamide is O=C(C[C@@H]1OCCCCc2[nH]c3ccccc3c2C(=O)Nc2ccccc2NC1=O)NO.
What is the InChIKey of 2-[(12S)-2,11-dioxo-13-oxa-3,10,19-triazatetracyclo[16.7.0.04,9.020,25]pentacosa-1(18),4,6,8,20,22,24-heptaen-12-yl]-N-hydroxyacetamide?
The InChIKey is XPLYFZSYBWXLDX-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N4O5/c28-20(27-31)13-19-22(29)25-16-9-3-4-10-17(16)26-23(30)21-14-7-1-2-8-15(14)24-18(21)11-5-6-12-32-19/h1-4,7-10,19,24,31H,5-6,11-13H2,(H,25,29)(H,26,30)(H,27,28)/t19-/m0/s1.
What are the key properties of 2-[(12S)-2,11-dioxo-13-oxa-3,10,19-triazatetracyclo[16.7.0.04,9.020,25]pentacosa-1(18),4,6,8,20,22,24-heptaen-12-yl]-N-hydroxyacetamide?
2-[(12S)-2,11-dioxo-13-oxa-3,10,19-triazatetracyclo[16.7.0.04,9.020,25]pentacosa-1(18),4,6,8,20,22,24-heptaen-12-yl]-N-hydroxyacetamide has a molecular weight of 436.47 g/mol, XLogP of 2.98, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(12S)-2,11-dioxo-13-oxa-3,10,19-triazatetracyclo[16.7.0.04,9.020,25]pentacosa-1(18),4,6,8,20,22,24-heptaen-12-yl]-N-hydroxyacetamide is sourced from PubChem (CID 88995325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).