N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide

C12H20N2O3 — CID 19602513

IUPACN-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide
SMILESCCCCCC(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C12H20N2O3/c1-2-3-4-5-10(15)13-7-9-8-14-11(16)6-12(14)17-9/h9,12H,2-8H2,1H3,(H,13,15)
InChIKeyDVNFMBXNILYCAK-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.64
Rot. Bonds6

About N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide

N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide (PubChem CID 19602513) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide.

Molecular Properties

Compound NameN-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide
PubChem CID19602513
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide
SMILESCCCCCC(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C12H20N2O3/c1-2-3-4-5-10(15)13-7-9-8-14-11(16)6-12(14)17-9/h9,12H,2-8H2,1H3,(H,13,15)
InChIKeyDVNFMBXNILYCAK-UHFFFAOYSA-N
XLogP0.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide 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-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide?
The IUPAC name of N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide (CID 19602513) is N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide.
What is the SMILES notation for N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide?
The canonical SMILES for N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide is CCCCCC(=O)NCC1CN2C(=O)CC2O1.
What is the InChIKey of N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide?
The InChIKey is DVNFMBXNILYCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-3-4-5-10(15)13-7-9-8-14-11(16)6-12(14)17-9/h9,12H,2-8H2,1H3,(H,13,15).
What are the key properties of N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide?
N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide has a molecular weight of 240.30 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide is sourced from PubChem (CID 19602513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).