tridecyl 2-oxo-2-(propylamino)acetate

C18H35NO3 — CID 6420322

IUPACtridecyl 2-oxo-2-(propylamino)acetate
SMILESCCCCCCCCCCCCCOC(=O)C(=O)NCCC
InChIInChI=1S/C18H35NO3/c1-3-5-6-7-8-9-10-11-12-13-14-16-22-18(21)17(20)19-15-4-2/h3-16H2,1-2H3,(H,19,20)
InChIKeyJAVVREBCRCLMAC-UHFFFAOYSA-N
MW313.48 g/mol
LogP4.37
Rot. Bonds14

About tridecyl 2-oxo-2-(propylamino)acetate

tridecyl 2-oxo-2-(propylamino)acetate (PubChem CID 6420322) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is tridecyl 2-oxo-2-(propylamino)acetate.

Molecular Properties

Compound Nametridecyl 2-oxo-2-(propylamino)acetate
PubChem CID6420322
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC Nametridecyl 2-oxo-2-(propylamino)acetate
SMILESCCCCCCCCCCCCCOC(=O)C(=O)NCCC
InChIInChI=1S/C18H35NO3/c1-3-5-6-7-8-9-10-11-12-13-14-16-22-18(21)17(20)19-15-4-2/h3-16H2,1-2H3,(H,19,20)
InChIKeyJAVVREBCRCLMAC-UHFFFAOYSA-N
XLogP4.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid pentadecylcarbamoylmethyl ester
CID 11088732
N-lauroyl glycine lauryl ester
CID 10251843
Acetic acid, (diethylamino)oxo-, octyl ester
CID 3042718
Acetic acid, (diethylamino)oxo-, nonyl ester
CID 3042719
Glycine, N-trifluoroacetyl-, hexadecyl ester
CID 21445003
Dioctyl diglycolamate
CID 155718113
Glycine, N-trifluoroacetyl-, tetradecyl ester
CID 91725894
Glycine, N-trifluoroacetyl-, pentadecyl ester
CID 91725895
Glycine, N-trifluoroacetyl-, heptadecyl ester
CID 91725903
Glycine, N-trifluoroacetyl-, octadecyl ester
CID 91725904
Octyl 2-(tetradecanoylamino)acetate
CID 18625127
Octyl 2-(dodecanoylamino)acetate
CID 85670544

Frequently Asked Questions

What is the IUPAC name of tridecyl 2-oxo-2-(propylamino)acetate?
The IUPAC name of tridecyl 2-oxo-2-(propylamino)acetate (CID 6420322) is tridecyl 2-oxo-2-(propylamino)acetate.
What is the SMILES notation for tridecyl 2-oxo-2-(propylamino)acetate?
The canonical SMILES for tridecyl 2-oxo-2-(propylamino)acetate is CCCCCCCCCCCCCOC(=O)C(=O)NCCC.
What is the InChIKey of tridecyl 2-oxo-2-(propylamino)acetate?
The InChIKey is JAVVREBCRCLMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-3-5-6-7-8-9-10-11-12-13-14-16-22-18(21)17(20)19-15-4-2/h3-16H2,1-2H3,(H,19,20).
What are the key properties of tridecyl 2-oxo-2-(propylamino)acetate?
tridecyl 2-oxo-2-(propylamino)acetate has a molecular weight of 313.48 g/mol, XLogP of 4.37, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tridecyl 2-oxo-2-(propylamino)acetate is sourced from PubChem (CID 6420322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).