N-[7-(hydroxyamino)-7-oxoheptyl]-3-[methoxy(dipyridin-2-yl)methyl]benzamide

C26H30N4O4 — CID 58536983

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-3-[methoxy(dipyridin-2-yl)methyl]benzamide
SMILESCOC(c1cccc(C(=O)NCCCCCCC(=O)NO)c1)(c1ccccn1)c1ccccn1
InChIInChI=1S/C26H30N4O4/c1-34-26(22-13-5-8-16-27-22,23-14-6-9-17-28-23)21-12-10-11-20(19-21)25(32)29-18-7-3-2-4-15-24(31)30-33/h5-6,8-14,16-17,19,33H,2-4,7,15,18H2,1H3,(H,29,32)(H,30,31)
InChIKeyXIZTTYRAACRRHH-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.60
Rot. Bonds12

About N-[7-(hydroxyamino)-7-oxoheptyl]-3-[methoxy(dipyridin-2-yl)methyl]benzamide

N-[7-(hydroxyamino)-7-oxoheptyl]-3-[methoxy(dipyridin-2-yl)methyl]benzamide (PubChem CID 58536983) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-3-[methoxy(dipyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-3-[methoxy(dipyridin-2-yl)methyl]benzamide
PubChem CID58536983
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-3-[methoxy(dipyridin-2-yl)methyl]benzamide
SMILESCOC(c1cccc(C(=O)NCCCCCCC(=O)NO)c1)(c1ccccn1)c1ccccn1
InChIInChI=1S/C26H30N4O4/c1-34-26(22-13-5-8-16-27-22,23-14-6-9-17-28-23)21-12-10-11-20(19-21)25(32)29-18-7-3-2-4-15-24(31)30-33/h5-6,8-14,16-17,19,33H,2-4,7,15,18H2,1H3,(H,29,32)(H,30,31)
InChIKeyXIZTTYRAACRRHH-UHFFFAOYSA-N
XLogP3.60
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[7-(hydroxyamino)-7-oxoheptyl]-3-[methoxy(dipyridin-2-yl)methyl]benzamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-3-[methoxy(dipyridin-2-yl)methyl]benzamide (CID 58536983) is N-[7-(hydroxyamino)-7-oxoheptyl]-3-[methoxy(dipyridin-2-yl)methyl]benzamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-3-[methoxy(dipyridin-2-yl)methyl]benzamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-3-[methoxy(dipyridin-2-yl)methyl]benzamide is COC(c1cccc(C(=O)NCCCCCCC(=O)NO)c1)(c1ccccn1)c1ccccn1.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-3-[methoxy(dipyridin-2-yl)methyl]benzamide?
The InChIKey is XIZTTYRAACRRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-34-26(22-13-5-8-16-27-22,23-14-6-9-17-28-23)21-12-10-11-20(19-21)25(32)29-18-7-3-2-4-15-24(31)30-33/h5-6,8-14,16-17,19,33H,2-4,7,15,18H2,1H3,(H,29,32)(H,30,31).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-3-[methoxy(dipyridin-2-yl)methyl]benzamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-3-[methoxy(dipyridin-2-yl)methyl]benzamide has a molecular weight of 462.55 g/mol, XLogP of 3.60, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-3-[methoxy(dipyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 58536983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).