tert-butyl 2-(12-methoxydodecanoylamino)acetate

C19H37NO4 — CID 15432302

IUPACtert-butyl 2-(12-methoxydodecanoylamino)acetate
SMILESCOCCCCCCCCCCCC(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO4/c1-19(2,3)24-18(22)16-20-17(21)14-12-10-8-6-5-7-9-11-13-15-23-4/h5-16H2,1-4H3,(H,20,21)
InChIKeyHYERBGIDIGREDY-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.99
Rot. Bonds14

About tert-butyl 2-(12-methoxydodecanoylamino)acetate

tert-butyl 2-(12-methoxydodecanoylamino)acetate (PubChem CID 15432302) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is tert-butyl 2-(12-methoxydodecanoylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(12-methoxydodecanoylamino)acetate
PubChem CID15432302
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Nametert-butyl 2-(12-methoxydodecanoylamino)acetate
SMILESCOCCCCCCCCCCCC(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO4/c1-19(2,3)24-18(22)16-20-17(21)14-12-10-8-6-5-7-9-11-13-15-23-4/h5-16H2,1-4H3,(H,20,21)
InChIKeyHYERBGIDIGREDY-UHFFFAOYSA-N
XLogP3.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.99
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(12-methoxydodecanoylamino)acetate?
The IUPAC name of tert-butyl 2-(12-methoxydodecanoylamino)acetate (CID 15432302) is tert-butyl 2-(12-methoxydodecanoylamino)acetate.
What is the SMILES notation for tert-butyl 2-(12-methoxydodecanoylamino)acetate?
The canonical SMILES for tert-butyl 2-(12-methoxydodecanoylamino)acetate is COCCCCCCCCCCCC(=O)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(12-methoxydodecanoylamino)acetate?
The InChIKey is HYERBGIDIGREDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c1-19(2,3)24-18(22)16-20-17(21)14-12-10-8-6-5-7-9-11-13-15-23-4/h5-16H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl 2-(12-methoxydodecanoylamino)acetate?
tert-butyl 2-(12-methoxydodecanoylamino)acetate has a molecular weight of 343.51 g/mol, XLogP of 3.99, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(12-methoxydodecanoylamino)acetate is sourced from PubChem (CID 15432302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).