N-hydroxy-N-[[(5R)-15-morpholin-4-yl-4-oxo-2,3,14,16,17-pentazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-5-yl]methyl]formamide

C18H29N7O4 — CID 11603882

IUPACN-hydroxy-N-[[(5R)-15-morpholin-4-yl-4-oxo-2,3,14,16,17-pentazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-5-yl]methyl]formamide
SMILESO=CN(O)C[C@H]1CCCCCCCc2nc(nc(N3CCOCC3)n2)NNC1=O
InChIInChI=1S/C18H29N7O4/c26-13-25(28)12-14-6-4-2-1-3-5-7-15-19-17(23-22-16(14)27)21-18(20-15)24-8-10-29-11-9-24/h13-14,28H,1-12H2,(H,22,27)(H,19,20,21,23)/t14-/m1/s1
InChIKeySXHMLSUYLCTWGV-CQSZACIVSA-N
MW407.48 g/mol
LogP0.51
Rot. Bonds4

About N-hydroxy-N-[[(5R)-15-morpholin-4-yl-4-oxo-2,3,14,16,17-pentazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-5-yl]methyl]formamide

N-hydroxy-N-[[(5R)-15-morpholin-4-yl-4-oxo-2,3,14,16,17-pentazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-5-yl]methyl]formamide (PubChem CID 11603882) has the molecular formula C18H29N7O4 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-hydroxy-N-[[(5R)-15-morpholin-4-yl-4-oxo-2,3,14,16,17-pentazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-5-yl]methyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[[(5R)-15-morpholin-4-yl-4-oxo-2,3,14,16,17-pentazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-5-yl]methyl]formamide
PubChem CID11603882
Molecular FormulaC18H29N7O4
Molecular Weight407.48 g/mol
Exact Mass407.23
IUPAC NameN-hydroxy-N-[[(5R)-15-morpholin-4-yl-4-oxo-2,3,14,16,17-pentazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-5-yl]methyl]formamide
SMILESO=CN(O)C[C@H]1CCCCCCCc2nc(nc(N3CCOCC3)n2)NNC1=O
InChIInChI=1S/C18H29N7O4/c26-13-25(28)12-14-6-4-2-1-3-5-7-15-19-17(23-22-16(14)27)21-18(20-15)24-8-10-29-11-9-24/h13-14,28H,1-12H2,(H,22,27)(H,19,20,21,23)/t14-/m1/s1
InChIKeySXHMLSUYLCTWGV-CQSZACIVSA-N
XLogP0.51
TPSA132.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 N-hydroxy-N-[[(5R)-15-morpholin-4-yl-4-oxo-2,3,14,16,17-pentazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-5-yl]methyl]formamide?
The IUPAC name of N-hydroxy-N-[[(5R)-15-morpholin-4-yl-4-oxo-2,3,14,16,17-pentazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-5-yl]methyl]formamide (CID 11603882) is N-hydroxy-N-[[(5R)-15-morpholin-4-yl-4-oxo-2,3,14,16,17-pentazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-5-yl]methyl]formamide.
What is the SMILES notation for N-hydroxy-N-[[(5R)-15-morpholin-4-yl-4-oxo-2,3,14,16,17-pentazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-5-yl]methyl]formamide?
The canonical SMILES for N-hydroxy-N-[[(5R)-15-morpholin-4-yl-4-oxo-2,3,14,16,17-pentazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-5-yl]methyl]formamide is O=CN(O)C[C@H]1CCCCCCCc2nc(nc(N3CCOCC3)n2)NNC1=O.
What is the InChIKey of N-hydroxy-N-[[(5R)-15-morpholin-4-yl-4-oxo-2,3,14,16,17-pentazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-5-yl]methyl]formamide?
The InChIKey is SXHMLSUYLCTWGV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N7O4/c26-13-25(28)12-14-6-4-2-1-3-5-7-15-19-17(23-22-16(14)27)21-18(20-15)24-8-10-29-11-9-24/h13-14,28H,1-12H2,(H,22,27)(H,19,20,21,23)/t14-/m1/s1.
What are the key properties of N-hydroxy-N-[[(5R)-15-morpholin-4-yl-4-oxo-2,3,14,16,17-pentazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-5-yl]methyl]formamide?
N-hydroxy-N-[[(5R)-15-morpholin-4-yl-4-oxo-2,3,14,16,17-pentazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-5-yl]methyl]formamide has a molecular weight of 407.48 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[[(5R)-15-morpholin-4-yl-4-oxo-2,3,14,16,17-pentazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-5-yl]methyl]formamide is sourced from PubChem (CID 11603882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).