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

C30H36N2O4 — CID 58536966

IUPAC4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide
SMILESCCOC(c1ccccc1)(c1ccccc1)c1ccc(C(=O)N(C)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C30H36N2O4/c1-3-36-30(25-14-8-6-9-15-25,26-16-10-7-11-17-26)27-21-19-24(20-22-27)29(34)32(2)23-13-5-4-12-18-28(33)31-35/h6-11,14-17,19-22,35H,3-5,12-13,18,23H2,1-2H3,(H,31,33)
InChIKeyZTPQCUYMXWDBLV-UHFFFAOYSA-N
MW488.63 g/mol
LogP5.54
Rot. Bonds13

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

4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide (PubChem CID 58536966) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide
PubChem CID58536966
Molecular FormulaC30H36N2O4
Molecular Weight488.63 g/mol
Exact Mass488.27
IUPAC Name4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide
SMILESCCOC(c1ccccc1)(c1ccccc1)c1ccc(C(=O)N(C)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C30H36N2O4/c1-3-36-30(25-14-8-6-9-15-25,26-16-10-7-11-17-26)27-21-19-24(20-22-27)29(34)32(2)23-13-5-4-12-18-28(33)31-35/h6-11,14-17,19-22,35H,3-5,12-13,18,23H2,1-2H3,(H,31,33)
InChIKeyZTPQCUYMXWDBLV-UHFFFAOYSA-N
XLogP5.54
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 55.54
H-Bond Donors ≤ 52
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'}

Analyze 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 2364636
CID 2364636
CID 44418800
CID 44418800
CID 46885249
CID 46885249
CID 90681443
CID 90681443
CID 168274118
CID 168274118
CID 53340197
CID 53340197
CID 53340312
CID 53340312
CID 53340313
CID 53340313
CID 53340546
CID 53340546
CID 53340547
CID 53340547
CID 53340548
CID 53340548
CID 58536944
CID 58536944

Frequently Asked Questions

What is the IUPAC name of 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide?
The IUPAC name of 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide (CID 58536966) is 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide.
What is the SMILES notation for 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide?
The canonical SMILES for 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide is CCOC(c1ccccc1)(c1ccccc1)c1ccc(C(=O)N(C)CCCCCCC(=O)NO)cc1.
What is the InChIKey of 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide?
The InChIKey is ZTPQCUYMXWDBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O4/c1-3-36-30(25-14-8-6-9-15-25,26-16-10-7-11-17-26)27-21-19-24(20-22-27)29(34)32(2)23-13-5-4-12-18-28(33)31-35/h6-11,14-17,19-22,35H,3-5,12-13,18,23H2,1-2H3,(H,31,33).
What are the key properties of 4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide?
4-[ethoxy(diphenyl)methyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide has a molecular weight of 488.63 g/mol, XLogP of 5.54, 13 rotatable bonds, 2 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]-N-methylbenzamide is sourced from PubChem (CID 58536966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).