molecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]hexanamide

C14H28N2O3 — CID 143785401

IUPACmolecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]hexanamide
SMILESC=C(CNC(=O)CCCC(C)=O)NCCCC(C)=O.[H][H].[H][H]
InChIInChI=1S/C14H24N2O3.2H2/c1-11(15-9-5-7-13(3)18)10-16-14(19)8-4-6-12(2)17;;/h15H,1,4-10H2,2-3H3,(H,16,19);2*1H
InChIKeyMSLJMYLRZYNSFQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.83
Rot. Bonds11

About molecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]hexanamide

molecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]hexanamide (PubChem CID 143785401) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is molecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]hexanamide.

Molecular Properties

Compound Namemolecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]hexanamide
PubChem CID143785401
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemolecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]hexanamide
SMILESC=C(CNC(=O)CCCC(C)=O)NCCCC(C)=O.[H][H].[H][H]
InChIInChI=1S/C14H24N2O3.2H2/c1-11(15-9-5-7-13(3)18)10-16-14(19)8-4-6-12(2)17;;/h15H,1,4-10H2,2-3H3,(H,16,19);2*1H
InChIKeyMSLJMYLRZYNSFQ-UHFFFAOYSA-N
XLogP1.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze molecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]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 molecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]hexanamide?
The IUPAC name of molecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]hexanamide (CID 143785401) is molecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]hexanamide.
What is the SMILES notation for molecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]hexanamide?
The canonical SMILES for molecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]hexanamide is C=C(CNC(=O)CCCC(C)=O)NCCCC(C)=O.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]hexanamide?
The InChIKey is MSLJMYLRZYNSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3.2H2/c1-11(15-9-5-7-13(3)18)10-16-14(19)8-4-6-12(2)17;;/h15H,1,4-10H2,2-3H3,(H,16,19);2*1H.
What are the key properties of molecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]hexanamide?
molecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]hexanamide has a molecular weight of 272.39 g/mol, XLogP of 1.83, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;5-oxo-N-[2-(4-oxopentylamino)prop-2-enyl]hexanamide is sourced from PubChem (CID 143785401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).