N-hydroxy-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide

C16H18N2O3 — CID 25218543

IUPACN-hydroxy-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide
SMILESCOc1cccc(CNCc2ccc(C(=O)NO)cc2)c1
InChIInChI=1S/C16H18N2O3/c1-21-15-4-2-3-13(9-15)11-17-10-12-5-7-14(8-6-12)16(19)18-20/h2-9,17,20H,10-11H2,1H3,(H,18,19)
InChIKeySTYHXJBPFBMRIC-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.10
Rot. Bonds6

About N-hydroxy-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide

N-hydroxy-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide (PubChem CID 25218543) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-hydroxy-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide
PubChem CID25218543
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-hydroxy-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide
SMILESCOc1cccc(CNCc2ccc(C(=O)NO)cc2)c1
InChIInChI=1S/C16H18N2O3/c1-21-15-4-2-3-13(9-15)11-17-10-12-5-7-14(8-6-12)16(19)18-20/h2-9,17,20H,10-11H2,1H3,(H,18,19)
InChIKeySTYHXJBPFBMRIC-UHFFFAOYSA-N
XLogP2.10
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide (CID 25218543) is N-hydroxy-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide is COc1cccc(CNCc2ccc(C(=O)NO)cc2)c1.
What is the InChIKey of N-hydroxy-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide?
The InChIKey is STYHXJBPFBMRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-15-4-2-3-13(9-15)11-17-10-12-5-7-14(8-6-12)16(19)18-20/h2-9,17,20H,10-11H2,1H3,(H,18,19).
What are the key properties of N-hydroxy-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide?
N-hydroxy-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide has a molecular weight of 286.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[(3-methoxyphenyl)methylamino]methyl]benzamide is sourced from PubChem (CID 25218543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).