nonyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate

C19H36N2O5 — CID 91714235

IUPACnonyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate
SMILESCCCCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCCC
InChIInChI=1S/C19H36N2O5/c1-5-7-8-9-10-11-12-14-25-18(23)16-20(3)17(22)15-21(4)19(24)26-13-6-2/h5-16H2,1-4H3
InChIKeyWBHIKAFVGFTQQR-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.22
Rot. Bonds14

About nonyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate

nonyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate (PubChem CID 91714235) has the molecular formula C19H36N2O5 and a molecular weight of 372.51 g/mol. Its IUPAC name is nonyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Namenonyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate
PubChem CID91714235
Molecular FormulaC19H36N2O5
Molecular Weight372.51 g/mol
Exact Mass372.26
IUPAC Namenonyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate
SMILESCCCCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCCC
InChIInChI=1S/C19H36N2O5/c1-5-7-8-9-10-11-12-14-25-18(23)16-20(3)17(22)15-21(4)19(24)26-13-6-2/h5-16H2,1-4H3
InChIKeyWBHIKAFVGFTQQR-UHFFFAOYSA-N
XLogP3.22
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nonyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate?
The IUPAC name of nonyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate (CID 91714235) is nonyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate.
What is the SMILES notation for nonyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate?
The canonical SMILES for nonyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate is CCCCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCCC.
What is the InChIKey of nonyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate?
The InChIKey is WBHIKAFVGFTQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O5/c1-5-7-8-9-10-11-12-14-25-18(23)16-20(3)17(22)15-21(4)19(24)26-13-6-2/h5-16H2,1-4H3.
What are the key properties of nonyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate?
nonyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate has a molecular weight of 372.51 g/mol, XLogP of 3.22, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 91714235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).