N-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide

C21H24N2O3 — CID 75000935

IUPACN-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide
SMILESCNC(=O)C(=O)CCCCCON=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-22-21(25)20(24)10-6-3-7-15-26-23-16-17-11-13-19(14-12-17)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3,(H,22,25)
InChIKeyHUFKWFCLSRJLAT-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.58
Rot. Bonds10

About N-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide

N-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide (PubChem CID 75000935) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide.

Molecular Properties

Compound NameN-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide
PubChem CID75000935
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide
SMILESCNC(=O)C(=O)CCCCCON=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-22-21(25)20(24)10-6-3-7-15-26-23-16-17-11-13-19(14-12-17)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3,(H,22,25)
InChIKeyHUFKWFCLSRJLAT-UHFFFAOYSA-N
XLogP3.58
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide?
The IUPAC name of N-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide (CID 75000935) is N-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide.
What is the SMILES notation for N-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide?
The canonical SMILES for N-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide is CNC(=O)C(=O)CCCCCON=Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide?
The InChIKey is HUFKWFCLSRJLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-22-21(25)20(24)10-6-3-7-15-26-23-16-17-11-13-19(14-12-17)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3,(H,22,25).
What are the key properties of N-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide?
N-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide has a molecular weight of 352.43 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide is sourced from PubChem (CID 75000935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).