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

C14H23N3O4 — CID 19602483

IUPAC6-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C14H23N3O4/c1-10(18)15-6-4-2-3-5-12(19)16-8-11-9-17-13(20)7-14(17)21-11/h11,14H,2-9H2,1H3,(H,15,18)(H,16,19)
InChIKeyGYFVCTYGCIUUNT-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.24
Rot. Bonds8

About 6-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide

6-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide (PubChem CID 19602483) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide.

Molecular Properties

Compound Name6-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide
PubChem CID19602483
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name6-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C14H23N3O4/c1-10(18)15-6-4-2-3-5-12(19)16-8-11-9-17-13(20)7-14(17)21-11/h11,14H,2-9H2,1H3,(H,15,18)(H,16,19)
InChIKeyGYFVCTYGCIUUNT-UHFFFAOYSA-N
XLogP-0.24
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-acetamido-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 6-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide?
The IUPAC name of 6-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide (CID 19602483) is 6-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide.
What is the SMILES notation for 6-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide?
The canonical SMILES for 6-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide is CC(=O)NCCCCCC(=O)NCC1CN2C(=O)CC2O1.
What is the InChIKey of 6-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide?
The InChIKey is GYFVCTYGCIUUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-10(18)15-6-4-2-3-5-12(19)16-8-11-9-17-13(20)7-14(17)21-11/h11,14H,2-9H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 6-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide?
6-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide has a molecular weight of 297.36 g/mol, XLogP of -0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide is sourced from PubChem (CID 19602483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).