4-[ethoxy(dipyridin-2-yl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

C27H32N4O4 — CID 87356212

IUPAC4-[ethoxy(dipyridin-2-yl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESCCOC(c1ccc(C(=O)NCCCCCCC(=O)NO)cc1)(c1ccccn1)c1ccccn1
InChIInChI=1S/C27H32N4O4/c1-2-35-27(23-11-6-9-18-28-23,24-12-7-10-19-29-24)22-16-14-21(15-17-22)26(33)30-20-8-4-3-5-13-25(32)31-34/h6-7,9-12,14-19,34H,2-5,8,13,20H2,1H3,(H,30,33)(H,31,32)
InChIKeyVKPFLJHHFVQJIR-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.99
Rot. Bonds13

About 4-[ethoxy(dipyridin-2-yl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

4-[ethoxy(dipyridin-2-yl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (PubChem CID 87356212) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-[ethoxy(dipyridin-2-yl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.

Molecular Properties

Compound Name4-[ethoxy(dipyridin-2-yl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
PubChem CID87356212
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name4-[ethoxy(dipyridin-2-yl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESCCOC(c1ccc(C(=O)NCCCCCCC(=O)NO)cc1)(c1ccccn1)c1ccccn1
InChIInChI=1S/C27H32N4O4/c1-2-35-27(23-11-6-9-18-28-23,24-12-7-10-19-29-24)22-16-14-21(15-17-22)26(33)30-20-8-4-3-5-13-25(32)31-34/h6-7,9-12,14-19,34H,2-5,8,13,20H2,1H3,(H,30,33)(H,31,32)
InChIKeyVKPFLJHHFVQJIR-UHFFFAOYSA-N
XLogP3.99
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.99
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 4-[ethoxy(dipyridin-2-yl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The IUPAC name of 4-[ethoxy(dipyridin-2-yl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (CID 87356212) is 4-[ethoxy(dipyridin-2-yl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.
What is the SMILES notation for 4-[ethoxy(dipyridin-2-yl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The canonical SMILES for 4-[ethoxy(dipyridin-2-yl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is CCOC(c1ccc(C(=O)NCCCCCCC(=O)NO)cc1)(c1ccccn1)c1ccccn1.
What is the InChIKey of 4-[ethoxy(dipyridin-2-yl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The InChIKey is VKPFLJHHFVQJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-2-35-27(23-11-6-9-18-28-23,24-12-7-10-19-29-24)22-16-14-21(15-17-22)26(33)30-20-8-4-3-5-13-25(32)31-34/h6-7,9-12,14-19,34H,2-5,8,13,20H2,1H3,(H,30,33)(H,31,32).
What are the key properties of 4-[ethoxy(dipyridin-2-yl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
4-[ethoxy(dipyridin-2-yl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide has a molecular weight of 476.58 g/mol, XLogP of 3.99, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxy(dipyridin-2-yl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is sourced from PubChem (CID 87356212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).