N-hydroxy-4-[(5-methoxy-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

C23H22N4O5 — CID 130238420

IUPACN-hydroxy-4-[(5-methoxy-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
SMILESCOc1ccc2c(c1)c1c(n2Cc2ccc(C(=O)NO)cc2)CN2CC1C(=O)N(C)C2=O
InChIInChI=1S/C23H22N4O5/c1-25-22(29)17-11-26(23(25)30)12-19-20(17)16-9-15(32-2)7-8-18(16)27(19)10-13-3-5-14(6-4-13)21(28)24-31/h3-9,17,31H,10-12H2,1-2H3,(H,24,28)
InChIKeyHDARVHRSUDNPTF-UHFFFAOYSA-N
MW434.45 g/mol
LogP2.31
Rot. Bonds4

About N-hydroxy-4-[(5-methoxy-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-methoxy-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 130238420) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is N-hydroxy-4-[(5-methoxy-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-methoxy-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 CID130238420
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC NameN-hydroxy-4-[(5-methoxy-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
SMILESCOc1ccc2c(c1)c1c(n2Cc2ccc(C(=O)NO)cc2)CN2CC1C(=O)N(C)C2=O
InChIInChI=1S/C23H22N4O5/c1-25-22(29)17-11-26(23(25)30)12-19-20(17)16-9-15(32-2)7-8-18(16)27(19)10-13-3-5-14(6-4-13)21(28)24-31/h3-9,17,31H,10-12H2,1-2H3,(H,24,28)
InChIKeyHDARVHRSUDNPTF-UHFFFAOYSA-N
XLogP2.31
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
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-methoxy-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-methoxy-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 130238420) is N-hydroxy-4-[(5-methoxy-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-methoxy-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-methoxy-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 COc1ccc2c(c1)c1c(n2Cc2ccc(C(=O)NO)cc2)CN2CC1C(=O)N(C)C2=O.
What is the InChIKey of N-hydroxy-4-[(5-methoxy-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 HDARVHRSUDNPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-25-22(29)17-11-26(23(25)30)12-19-20(17)16-9-15(32-2)7-8-18(16)27(19)10-13-3-5-14(6-4-13)21(28)24-31/h3-9,17,31H,10-12H2,1-2H3,(H,24,28).
What are the key properties of N-hydroxy-4-[(5-methoxy-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-methoxy-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 434.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(5-methoxy-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 130238420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).