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

C27H30N2O4 — CID 53340197

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(diphenyl)methyl]benzamide
SMILESO=C(CCCCCCNC(=O)c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)NO
InChIInChI=1S/C27H30N2O4/c30-25(29-33)15-9-1-2-10-20-28-26(31)21-16-18-24(19-17-21)27(32,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-8,11-14,16-19,32-33H,1-2,9-10,15,20H2,(H,28,31)(H,29,30)
InChIKeyHKEXBVDTDHYJOZ-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.16
Rot. Bonds11

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

N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(diphenyl)methyl]benzamide (PubChem CID 53340197) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(diphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(diphenyl)methyl]benzamide
PubChem CID53340197
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(diphenyl)methyl]benzamide
SMILESO=C(CCCCCCNC(=O)c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)NO
InChIInChI=1S/C27H30N2O4/c30-25(29-33)15-9-1-2-10-20-28-26(31)21-16-18-24(19-17-21)27(32,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-8,11-14,16-19,32-33H,1-2,9-10,15,20H2,(H,28,31)(H,29,30)
InChIKeyHKEXBVDTDHYJOZ-UHFFFAOYSA-N
XLogP4.16
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.16
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-[hydroxy(diphenyl)methyl]benzamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(diphenyl)methyl]benzamide (CID 53340197) is N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(diphenyl)methyl]benzamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(diphenyl)methyl]benzamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(diphenyl)methyl]benzamide is O=C(CCCCCCNC(=O)c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(diphenyl)methyl]benzamide?
The InChIKey is HKEXBVDTDHYJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c30-25(29-33)15-9-1-2-10-20-28-26(31)21-16-18-24(19-17-21)27(32,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-8,11-14,16-19,32-33H,1-2,9-10,15,20H2,(H,28,31)(H,29,30).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(diphenyl)methyl]benzamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(diphenyl)methyl]benzamide has a molecular weight of 446.55 g/mol, XLogP of 4.16, 11 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-[hydroxy(diphenyl)methyl]benzamide is sourced from PubChem (CID 53340197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).