N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide

C21H23N5O3 — CID 50991200

IUPACN-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2cc(-c3ccc(CN4CCOCC4)cc3)nn2)cc1
InChIInChI=1S/C21H23N5O3/c27-21(23-28)19-7-3-17(4-8-19)14-26-15-20(22-24-26)18-5-1-16(2-6-18)13-25-9-11-29-12-10-25/h1-8,15,28H,9-14H2,(H,23,27)
InChIKeyXSODRLBRLKEVOA-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.94
Rot. Bonds6

About N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide

N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide (PubChem CID 50991200) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide
PubChem CID50991200
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2cc(-c3ccc(CN4CCOCC4)cc3)nn2)cc1
InChIInChI=1S/C21H23N5O3/c27-21(23-28)19-7-3-17(4-8-19)14-26-15-20(22-24-26)18-5-1-16(2-6-18)13-25-9-11-29-12-10-25/h1-8,15,28H,9-14H2,(H,23,27)
InChIKeyXSODRLBRLKEVOA-UHFFFAOYSA-N
XLogP1.94
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

CID 50991199
CID 50991199
CID 136030779
CID 136030779
CID 136030780
CID 136030780
CID 24793584
CID 24793584
CID 25068480
CID 25068480
CID 44585265
CID 44585265
CID 44585272
CID 44585272
CID 45483879
CID 45483879
CID 46229559
CID 46229559
CID 46229560
CID 46229560
CID 46229586
CID 46229586
CID 60151006
CID 60151006

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide (CID 50991200) is N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide is O=C(NO)c1ccc(Cn2cc(-c3ccc(CN4CCOCC4)cc3)nn2)cc1.
What is the InChIKey of N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide?
The InChIKey is XSODRLBRLKEVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c27-21(23-28)19-7-3-17(4-8-19)14-26-15-20(22-24-26)18-5-1-16(2-6-18)13-25-9-11-29-12-10-25/h1-8,15,28H,9-14H2,(H,23,27).
What are the key properties of N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide?
N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide has a molecular weight of 393.45 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide is sourced from PubChem (CID 50991200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).