N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide

C15H19N3O3 — CID 70077971

IUPACN-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide
SMILESNN=Cc1ccc(NC(=O)CCC2CCCC(=O)O2)cc1
InChIInChI=1S/C15H19N3O3/c16-17-10-11-4-6-12(7-5-11)18-14(19)9-8-13-2-1-3-15(20)21-13/h4-7,10,13H,1-3,8-9,16H2,(H,18,19)
InChIKeyMZCQHSUZKHWSHY-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.79
Rot. Bonds5

About N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide

N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide (PubChem CID 70077971) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide
PubChem CID70077971
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide
SMILESNN=Cc1ccc(NC(=O)CCC2CCCC(=O)O2)cc1
InChIInChI=1S/C15H19N3O3/c16-17-10-11-4-6-12(7-5-11)18-14(19)9-8-13-2-1-3-15(20)21-13/h4-7,10,13H,1-3,8-9,16H2,(H,18,19)
InChIKeyMZCQHSUZKHWSHY-UHFFFAOYSA-N
XLogP1.79
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide 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-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide?
The IUPAC name of N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide (CID 70077971) is N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide.
What is the SMILES notation for N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide?
The canonical SMILES for N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide is NN=Cc1ccc(NC(=O)CCC2CCCC(=O)O2)cc1.
What is the InChIKey of N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide?
The InChIKey is MZCQHSUZKHWSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-17-10-11-4-6-12(7-5-11)18-14(19)9-8-13-2-1-3-15(20)21-13/h4-7,10,13H,1-3,8-9,16H2,(H,18,19).
What are the key properties of N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide?
N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide has a molecular weight of 289.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide is sourced from PubChem (CID 70077971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).