tridecyl 2-(ethoxycarbonylamino)acetate

C18H35NO4 — CID 6421885

IUPACtridecyl 2-(ethoxycarbonylamino)acetate
SMILESCCCCCCCCCCCCCOC(=O)CNC(=O)OCC
InChIInChI=1S/C18H35NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-23-17(20)16-19-18(21)22-4-2/h3-16H2,1-2H3,(H,19,21)
InChIKeyLBSIZWHAAVLFPM-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.59
Rot. Bonds15

About tridecyl 2-(ethoxycarbonylamino)acetate

tridecyl 2-(ethoxycarbonylamino)acetate (PubChem CID 6421885) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is tridecyl 2-(ethoxycarbonylamino)acetate.

Molecular Properties

Compound Nametridecyl 2-(ethoxycarbonylamino)acetate
PubChem CID6421885
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Nametridecyl 2-(ethoxycarbonylamino)acetate
SMILESCCCCCCCCCCCCCOC(=O)CNC(=O)OCC
InChIInChI=1S/C18H35NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-23-17(20)16-19-18(21)22-4-2/h3-16H2,1-2H3,(H,19,21)
InChIKeyLBSIZWHAAVLFPM-UHFFFAOYSA-N
XLogP4.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexyl 2-(ethoxycarbonylamino)acetate
CID 6421848
pentyl 2-(butoxycarbonylamino)acetate
CID 6422768
hexadecyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 54136324
tetradecyl N-(hydroxymethyl)carbamate
CID 71348472
ethyl 2-(propoxycarbonylamino)acetate
CID 6422290
undecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 91693601
ethyl 2-[2-(hexadecanoylamino)ethoxycarbonylamino]acetate
CID 22560977
butyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422793
CID 156540534
CID 156540534
4-methylpentyl 2-(butoxycarbonylamino)acetate
CID 6422769
dioctyl propanedioate;titanium
CID 174779164
hexyl N-tetradecylcarbamate
CID 91739120

Frequently Asked Questions

What is the IUPAC name of tridecyl 2-(ethoxycarbonylamino)acetate?
The IUPAC name of tridecyl 2-(ethoxycarbonylamino)acetate (CID 6421885) is tridecyl 2-(ethoxycarbonylamino)acetate.
What is the SMILES notation for tridecyl 2-(ethoxycarbonylamino)acetate?
The canonical SMILES for tridecyl 2-(ethoxycarbonylamino)acetate is CCCCCCCCCCCCCOC(=O)CNC(=O)OCC.
What is the InChIKey of tridecyl 2-(ethoxycarbonylamino)acetate?
The InChIKey is LBSIZWHAAVLFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-23-17(20)16-19-18(21)22-4-2/h3-16H2,1-2H3,(H,19,21).
What are the key properties of tridecyl 2-(ethoxycarbonylamino)acetate?
tridecyl 2-(ethoxycarbonylamino)acetate has a molecular weight of 329.48 g/mol, XLogP of 4.59, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tridecyl 2-(ethoxycarbonylamino)acetate is sourced from PubChem (CID 6421885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).