N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide

C20H23N3O2 — CID 75045118

IUPACN-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
SMILESCc1ccc(N2CC3CC2CN3c2ccc(C(=O)N(C)O)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-14-3-7-16(8-4-14)22-12-19-11-18(22)13-23(19)17-9-5-15(6-10-17)20(24)21(2)25/h3-10,18-19,25H,11-13H2,1-2H3
InChIKeyVEPCDCAVIGFPNN-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.92
Rot. Bonds3

About N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide

N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide (PubChem CID 75045118) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide.

Molecular Properties

Compound NameN-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
PubChem CID75045118
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
SMILESCc1ccc(N2CC3CC2CN3c2ccc(C(=O)N(C)O)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-14-3-7-16(8-4-14)22-12-19-11-18(22)13-23(19)17-9-5-15(6-10-17)20(24)21(2)25/h3-10,18-19,25H,11-13H2,1-2H3
InChIKeyVEPCDCAVIGFPNN-UHFFFAOYSA-N
XLogP2.92
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', '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-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
The IUPAC name of N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide (CID 75045118) is N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide.
What is the SMILES notation for N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
The canonical SMILES for N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide is Cc1ccc(N2CC3CC2CN3c2ccc(C(=O)N(C)O)cc2)cc1.
What is the InChIKey of N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
The InChIKey is VEPCDCAVIGFPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-3-7-16(8-4-14)22-12-19-11-18(22)13-23(19)17-9-5-15(6-10-17)20(24)21(2)25/h3-10,18-19,25H,11-13H2,1-2H3.
What are the key properties of N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide is sourced from PubChem (CID 75045118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).