N-hydroxy-4-[(5-hydroxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide

C22H20N4O5 — CID 118884613

IUPACN-hydroxy-4-[(5-hydroxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide
SMILESCN1C(=O)C2CN(Cc3c2c2cc(O)ccc2n3Cc2ccc(C(=O)NO)cc2)C1=O
InChIInChI=1S/C22H20N4O5/c1-24-21(29)16-10-25(22(24)30)11-18-19(16)15-8-14(27)6-7-17(15)26(18)9-12-2-4-13(5-3-12)20(28)23-31/h2-8,16,27,31H,9-11H2,1H3,(H,23,28)
InChIKeyJGTNYZZAWNLQHU-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.01
Rot. Bonds3

About N-hydroxy-4-[(5-hydroxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide

N-hydroxy-4-[(5-hydroxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide (PubChem CID 118884613) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is N-hydroxy-4-[(5-hydroxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(5-hydroxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide
PubChem CID118884613
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC NameN-hydroxy-4-[(5-hydroxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide
SMILESCN1C(=O)C2CN(Cc3c2c2cc(O)ccc2n3Cc2ccc(C(=O)NO)cc2)C1=O
InChIInChI=1S/C22H20N4O5/c1-24-21(29)16-10-25(22(24)30)11-18-19(16)15-8-14(27)6-7-17(15)26(18)9-12-2-4-13(5-3-12)20(28)23-31/h2-8,16,27,31H,9-11H2,1H3,(H,23,28)
InChIKeyJGTNYZZAWNLQHU-UHFFFAOYSA-N
XLogP2.01
TPSA115.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', '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-4-[(5-hydroxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(5-hydroxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide (CID 118884613) is N-hydroxy-4-[(5-hydroxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(5-hydroxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(5-hydroxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide is CN1C(=O)C2CN(Cc3c2c2cc(O)ccc2n3Cc2ccc(C(=O)NO)cc2)C1=O.
What is the InChIKey of N-hydroxy-4-[(5-hydroxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide?
The InChIKey is JGTNYZZAWNLQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-24-21(29)16-10-25(22(24)30)11-18-19(16)15-8-14(27)6-7-17(15)26(18)9-12-2-4-13(5-3-12)20(28)23-31/h2-8,16,27,31H,9-11H2,1H3,(H,23,28).
What are the key properties of N-hydroxy-4-[(5-hydroxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide?
N-hydroxy-4-[(5-hydroxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide has a molecular weight of 420.43 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(5-hydroxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide is sourced from PubChem (CID 118884613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).