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

C20H38N2O5 — CID 91714236

IUPACdecyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate
SMILESCCCCCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCCC
InChIInChI=1S/C20H38N2O5/c1-5-7-8-9-10-11-12-13-15-26-19(24)17-21(3)18(23)16-22(4)20(25)27-14-6-2/h5-17H2,1-4H3
InChIKeyQJYNQUDNEGFHEI-UHFFFAOYSA-N
MW386.53 g/mol
LogP3.61
Rot. Bonds15

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

decyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate (PubChem CID 91714236) has the molecular formula C20H38N2O5 and a molecular weight of 386.53 g/mol. Its IUPAC name is decyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Namedecyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate
PubChem CID91714236
Molecular FormulaC20H38N2O5
Molecular Weight386.53 g/mol
Exact Mass386.28
IUPAC Namedecyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate
SMILESCCCCCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCCC
InChIInChI=1S/C20H38N2O5/c1-5-7-8-9-10-11-12-13-15-26-19(24)17-21(3)18(23)16-22(4)20(25)27-14-6-2/h5-17H2,1-4H3
InChIKeyQJYNQUDNEGFHEI-UHFFFAOYSA-N
XLogP3.61
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 53.61
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 decyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate?
The IUPAC name of decyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate (CID 91714236) is decyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate.
What is the SMILES notation for decyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate?
The canonical SMILES for decyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate is CCCCCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCCC.
What is the InChIKey of decyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate?
The InChIKey is QJYNQUDNEGFHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O5/c1-5-7-8-9-10-11-12-13-15-26-19(24)17-21(3)18(23)16-22(4)20(25)27-14-6-2/h5-17H2,1-4H3.
What are the key properties of decyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate?
decyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate has a molecular weight of 386.53 g/mol, XLogP of 3.61, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 91714236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).