N'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]heptanediamide

C20H23N3O3 — CID 25118059

IUPACN'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)N/N=C/c1ccc(-c2ccccc2)cc1)NO
InChIInChI=1S/C20H23N3O3/c24-19(9-5-2-6-10-20(25)23-26)22-21-15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1,3-4,7-8,11-15,26H,2,5-6,9-10H2,(H,22,24)(H,23,25)/b21-15+
InChIKeyAEIVDBATQVVQFS-RCCKNPSSSA-N
MW353.42 g/mol
LogP3.26
Rot. Bonds9

About N'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]heptanediamide

N'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]heptanediamide (PubChem CID 25118059) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]heptanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]heptanediamide
PubChem CID25118059
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)N/N=C/c1ccc(-c2ccccc2)cc1)NO
InChIInChI=1S/C20H23N3O3/c24-19(9-5-2-6-10-20(25)23-26)22-21-15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1,3-4,7-8,11-15,26H,2,5-6,9-10H2,(H,22,24)(H,23,25)/b21-15+
InChIKeyAEIVDBATQVVQFS-RCCKNPSSSA-N
XLogP3.26
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.26
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]heptanediamide?
The IUPAC name of N'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]heptanediamide (CID 25118059) is N'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]heptanediamide.
What is the SMILES notation for N'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]heptanediamide?
The canonical SMILES for N'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]heptanediamide is O=C(CCCCCC(=O)N/N=C/c1ccc(-c2ccccc2)cc1)NO.
What is the InChIKey of N'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]heptanediamide?
The InChIKey is AEIVDBATQVVQFS-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(9-5-2-6-10-20(25)23-26)22-21-15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1,3-4,7-8,11-15,26H,2,5-6,9-10H2,(H,22,24)(H,23,25)/b21-15+.
What are the key properties of N'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]heptanediamide?
N'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]heptanediamide has a molecular weight of 353.42 g/mol, XLogP of 3.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]heptanediamide is sourced from PubChem (CID 25118059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).