(cyclododecylideneamino) acetate

C14H25NO2 — CID 5062319

IUPAC(cyclododecylideneamino) acetate
SMILESCC(=O)ON=C1CCCCCCCCCCC1
InChIInChI=1S/C14H25NO2/c1-13(16)17-15-14-11-9-7-5-3-2-4-6-8-10-12-14/h2-12H2,1H3
InChIKeyRXGNYPSMBIFZOD-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.21
Rot. Bonds1

About (cyclododecylideneamino) acetate

(cyclododecylideneamino) acetate (PubChem CID 5062319) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (cyclododecylideneamino) acetate.

Molecular Properties

Compound Name(cyclododecylideneamino) acetate
PubChem CID5062319
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(cyclododecylideneamino) acetate
SMILESCC(=O)ON=C1CCCCCCCCCCC1
InChIInChI=1S/C14H25NO2/c1-13(16)17-15-14-11-9-7-5-3-2-4-6-8-10-12-14/h2-12H2,1H3
InChIKeyRXGNYPSMBIFZOD-UHFFFAOYSA-N
XLogP4.21
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (cyclododecylideneamino) acetate?
The IUPAC name of (cyclododecylideneamino) acetate (CID 5062319) is (cyclododecylideneamino) acetate.
What is the SMILES notation for (cyclododecylideneamino) acetate?
The canonical SMILES for (cyclododecylideneamino) acetate is CC(=O)ON=C1CCCCCCCCCCC1.
What is the InChIKey of (cyclododecylideneamino) acetate?
The InChIKey is RXGNYPSMBIFZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(16)17-15-14-11-9-7-5-3-2-4-6-8-10-12-14/h2-12H2,1H3.
What are the key properties of (cyclododecylideneamino) acetate?
(cyclododecylideneamino) acetate has a molecular weight of 239.36 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclododecylideneamino) acetate is sourced from PubChem (CID 5062319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).