2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate

C18H34NO4- — CID 23266850

IUPAC2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate
SMILESCCCCCCCCCCCCC(C)OC(=O)CNCC(=O)[O-]
InChIInChI=1S/C18H35NO4/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)23-18(22)15-19-14-17(20)21/h16,19H,3-15H2,1-2H3,(H,20,21)/p-1
InChIKeyGBJPOWFAXSZKDP-UHFFFAOYSA-M
MW328.47 g/mol
LogP2.57
Rot. Bonds16

About 2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate

2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate (PubChem CID 23266850) has the molecular formula C18H34NO4- and a molecular weight of 328.47 g/mol. Its IUPAC name is 2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate.

Molecular Properties

Compound Name2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate
PubChem CID23266850
Molecular FormulaC18H34NO4-
Molecular Weight328.47 g/mol
Exact Mass328.25
IUPAC Name2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate
SMILESCCCCCCCCCCCCC(C)OC(=O)CNCC(=O)[O-]
InChIInChI=1S/C18H35NO4/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)23-18(22)15-19-14-17(20)21/h16,19H,3-15H2,1-2H3,(H,20,21)/p-1
InChIKeyGBJPOWFAXSZKDP-UHFFFAOYSA-M
XLogP2.57
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

octan-2-yl 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107436983
sodium 3-[(3-hexadecan-2-yloxy-3-oxopropyl)amino]propanoate
CID 175594559
octan-2-yl 2-(prop-2-ynylamino)acetate
CID 79272987
tridecan-2-yl 2-formamidoacetate
CID 76594869
hexadecan-2-yl propanoate
CID 154494346
[(2S)-dodecan-2-yl] propanoate
CID 162853259
nonan-2-yl undecanoate
CID 87368690
pentadecan-2-yl icosanoate
CID 162895127
heptadecan-2-yl tetradecanoate
CID 54293612
henicosan-2-yl hexadecanoate
CID 87097147
octatriacontan-2-yl dodecanoate
CID 174214599
dioctan-2-yl pentanedioate
CID 71404705

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate?
The IUPAC name of 2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate (CID 23266850) is 2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate.
What is the SMILES notation for 2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate?
The canonical SMILES for 2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate is CCCCCCCCCCCCC(C)OC(=O)CNCC(=O)[O-].
What is the InChIKey of 2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate?
The InChIKey is GBJPOWFAXSZKDP-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H35NO4/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)23-18(22)15-19-14-17(20)21/h16,19H,3-15H2,1-2H3,(H,20,21)/p-1.
What are the key properties of 2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate?
2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate has a molecular weight of 328.47 g/mol, XLogP of 2.57, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate is sourced from PubChem (CID 23266850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).