nonyl 2-[2-[ethenoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate

C20H36N2O5 — CID 91713252

IUPACnonyl 2-[2-[ethenoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
SMILESC=COC(=O)N(C)C(C)C(=O)N(C)C(C)C(=O)OCCCCCCCCC
InChIInChI=1S/C20H36N2O5/c1-7-9-10-11-12-13-14-15-27-19(24)17(4)21(5)18(23)16(3)22(6)20(25)26-8-2/h8,16-17H,2,7,9-15H2,1,3-6H3
InChIKeyVEYOFDLLHJKZMA-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.73
Rot. Bonds13

About nonyl 2-[2-[ethenoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate

nonyl 2-[2-[ethenoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate (PubChem CID 91713252) has the molecular formula C20H36N2O5 and a molecular weight of 384.52 g/mol. Its IUPAC name is nonyl 2-[2-[ethenoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate.

Molecular Properties

Compound Namenonyl 2-[2-[ethenoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
PubChem CID91713252
Molecular FormulaC20H36N2O5
Molecular Weight384.52 g/mol
Exact Mass384.26
IUPAC Namenonyl 2-[2-[ethenoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
SMILESC=COC(=O)N(C)C(C)C(=O)N(C)C(C)C(=O)OCCCCCCCCC
InChIInChI=1S/C20H36N2O5/c1-7-9-10-11-12-13-14-15-27-19(24)17(4)21(5)18(23)16(3)22(6)20(25)26-8-2/h8,16-17H,2,7,9-15H2,1,3-6H3
InChIKeyVEYOFDLLHJKZMA-UHFFFAOYSA-N
XLogP3.73
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze nonyl 2-[2-[ethenoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate 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 nonyl 2-[2-[ethenoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate?
The IUPAC name of nonyl 2-[2-[ethenoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate (CID 91713252) is nonyl 2-[2-[ethenoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate.
What is the SMILES notation for nonyl 2-[2-[ethenoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate?
The canonical SMILES for nonyl 2-[2-[ethenoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate is C=COC(=O)N(C)C(C)C(=O)N(C)C(C)C(=O)OCCCCCCCCC.
What is the InChIKey of nonyl 2-[2-[ethenoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate?
The InChIKey is VEYOFDLLHJKZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O5/c1-7-9-10-11-12-13-14-15-27-19(24)17(4)21(5)18(23)16(3)22(6)20(25)26-8-2/h8,16-17H,2,7,9-15H2,1,3-6H3.
What are the key properties of nonyl 2-[2-[ethenoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate?
nonyl 2-[2-[ethenoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate has a molecular weight of 384.52 g/mol, XLogP of 3.73, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-[2-[ethenoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate is sourced from PubChem (CID 91713252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).