N-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-hydroxy-1,1-diphenylethyl)benzamide

C28H32N2O4 — CID 58536944

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-hydroxy-1,1-diphenylethyl)benzamide
SMILESO=C(CCCCCCNC(=O)c1ccc(C(CO)(c2ccccc2)c2ccccc2)cc1)NO
InChIInChI=1S/C28H32N2O4/c31-21-28(23-11-5-3-6-12-23,24-13-7-4-8-14-24)25-18-16-22(17-19-25)27(33)29-20-10-2-1-9-15-26(32)30-34/h3-8,11-14,16-19,31,34H,1-2,9-10,15,20-21H2,(H,29,33)(H,30,32)
InChIKeyWTWNDJPYXZNNMZ-UHFFFAOYSA-N
MW460.57 g/mol
LogP4.20
Rot. Bonds12

About N-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-hydroxy-1,1-diphenylethyl)benzamide

N-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-hydroxy-1,1-diphenylethyl)benzamide (PubChem CID 58536944) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-hydroxy-1,1-diphenylethyl)benzamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-hydroxy-1,1-diphenylethyl)benzamide
PubChem CID58536944
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-hydroxy-1,1-diphenylethyl)benzamide
SMILESO=C(CCCCCCNC(=O)c1ccc(C(CO)(c2ccccc2)c2ccccc2)cc1)NO
InChIInChI=1S/C28H32N2O4/c31-21-28(23-11-5-3-6-12-23,24-13-7-4-8-14-24)25-18-16-22(17-19-25)27(33)29-20-10-2-1-9-15-26(32)30-34/h3-8,11-14,16-19,31,34H,1-2,9-10,15,20-21H2,(H,29,33)(H,30,32)
InChIKeyWTWNDJPYXZNNMZ-UHFFFAOYSA-N
XLogP4.20
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.20
H-Bond Donors ≤ 54
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 N-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-hydroxy-1,1-diphenylethyl)benzamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-hydroxy-1,1-diphenylethyl)benzamide (CID 58536944) is N-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-hydroxy-1,1-diphenylethyl)benzamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-hydroxy-1,1-diphenylethyl)benzamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-hydroxy-1,1-diphenylethyl)benzamide is O=C(CCCCCCNC(=O)c1ccc(C(CO)(c2ccccc2)c2ccccc2)cc1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-hydroxy-1,1-diphenylethyl)benzamide?
The InChIKey is WTWNDJPYXZNNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c31-21-28(23-11-5-3-6-12-23,24-13-7-4-8-14-24)25-18-16-22(17-19-25)27(33)29-20-10-2-1-9-15-26(32)30-34/h3-8,11-14,16-19,31,34H,1-2,9-10,15,20-21H2,(H,29,33)(H,30,32).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-hydroxy-1,1-diphenylethyl)benzamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-hydroxy-1,1-diphenylethyl)benzamide has a molecular weight of 460.57 g/mol, XLogP of 4.20, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-hydroxy-1,1-diphenylethyl)benzamide is sourced from PubChem (CID 58536944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).