4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

C29H34N2O4 — CID 87356389

IUPAC4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESCCOC(c1ccccc1)(c1ccccc1)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1
InChIInChI=1S/C29H34N2O4/c1-2-35-29(24-13-7-5-8-14-24,25-15-9-6-10-16-25)26-20-18-23(19-21-26)28(33)30-22-12-4-3-11-17-27(32)31-34/h5-10,13-16,18-21,34H,2-4,11-12,17,22H2,1H3,(H,30,33)(H,31,32)
InChIKeyZLBFOVOJQMZVTI-UHFFFAOYSA-N
MW474.60 g/mol
LogP5.20
Rot. Bonds13

About 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (PubChem CID 87356389) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.

Molecular Properties

Compound Name4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
PubChem CID87356389
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC Name4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESCCOC(c1ccccc1)(c1ccccc1)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1
InChIInChI=1S/C29H34N2O4/c1-2-35-29(24-13-7-5-8-14-24,25-15-9-6-10-16-25)26-20-18-23(19-21-26)28(33)30-22-12-4-3-11-17-27(32)31-34/h5-10,13-16,18-21,34H,2-4,11-12,17,22H2,1H3,(H,30,33)(H,31,32)
InChIKeyZLBFOVOJQMZVTI-UHFFFAOYSA-N
XLogP5.20
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The IUPAC name of 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (CID 87356389) is 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.
What is the SMILES notation for 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The canonical SMILES for 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is CCOC(c1ccccc1)(c1ccccc1)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1.
What is the InChIKey of 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The InChIKey is ZLBFOVOJQMZVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-2-35-29(24-13-7-5-8-14-24,25-15-9-6-10-16-25)26-20-18-23(19-21-26)28(33)30-22-12-4-3-11-17-27(32)31-34/h5-10,13-16,18-21,34H,2-4,11-12,17,22H2,1H3,(H,30,33)(H,31,32).
What are the key properties of 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide has a molecular weight of 474.60 g/mol, XLogP of 5.20, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is sourced from PubChem (CID 87356389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).