N'-hydroxy-N-phenyl-2-phenylmethoxyheptanediamide

C20H24N2O4 — CID 25065925

IUPACN'-hydroxy-N-phenyl-2-phenylmethoxyheptanediamide
SMILESO=C(CCCCC(OCc1ccccc1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C20H24N2O4/c23-19(22-25)14-8-7-13-18(26-15-16-9-3-1-4-10-16)20(24)21-17-11-5-2-6-12-17/h1-6,9-12,18,25H,7-8,13-15H2,(H,21,24)(H,22,23)
InChIKeyDGQYQVJKMZAQBV-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.28
Rot. Bonds10

About N'-hydroxy-N-phenyl-2-phenylmethoxyheptanediamide

N'-hydroxy-N-phenyl-2-phenylmethoxyheptanediamide (PubChem CID 25065925) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N'-hydroxy-N-phenyl-2-phenylmethoxyheptanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-phenyl-2-phenylmethoxyheptanediamide
PubChem CID25065925
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN'-hydroxy-N-phenyl-2-phenylmethoxyheptanediamide
SMILESO=C(CCCCC(OCc1ccccc1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C20H24N2O4/c23-19(22-25)14-8-7-13-18(26-15-16-9-3-1-4-10-16)20(24)21-17-11-5-2-6-12-17/h1-6,9-12,18,25H,7-8,13-15H2,(H,21,24)(H,22,23)
InChIKeyDGQYQVJKMZAQBV-UHFFFAOYSA-N
XLogP3.28
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.28
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'}

Analyze N'-hydroxy-N-phenyl-2-phenylmethoxyheptanediamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-phenyl-2-phenylmethoxyheptanediamide?
The IUPAC name of N'-hydroxy-N-phenyl-2-phenylmethoxyheptanediamide (CID 25065925) is N'-hydroxy-N-phenyl-2-phenylmethoxyheptanediamide.
What is the SMILES notation for N'-hydroxy-N-phenyl-2-phenylmethoxyheptanediamide?
The canonical SMILES for N'-hydroxy-N-phenyl-2-phenylmethoxyheptanediamide is O=C(CCCCC(OCc1ccccc1)C(=O)Nc1ccccc1)NO.
What is the InChIKey of N'-hydroxy-N-phenyl-2-phenylmethoxyheptanediamide?
The InChIKey is DGQYQVJKMZAQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-19(22-25)14-8-7-13-18(26-15-16-9-3-1-4-10-16)20(24)21-17-11-5-2-6-12-17/h1-6,9-12,18,25H,7-8,13-15H2,(H,21,24)(H,22,23).
What are the key properties of N'-hydroxy-N-phenyl-2-phenylmethoxyheptanediamide?
N'-hydroxy-N-phenyl-2-phenylmethoxyheptanediamide has a molecular weight of 356.42 g/mol, XLogP of 3.28, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-phenyl-2-phenylmethoxyheptanediamide is sourced from PubChem (CID 25065925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).