[(E)-(2-methoxycyclododecylidene)amino] acetate

C15H27NO3 — CID 15685671

IUPAC[(E)-(2-methoxycyclododecylidene)amino] acetate
SMILESCOC1CCCCCCCCCC/C1=N\OC(C)=O
InChIInChI=1S/C15H27NO3/c1-13(17)19-16-14-11-9-7-5-3-4-6-8-10-12-15(14)18-2/h15H,3-12H2,1-2H3/b16-14+
InChIKeyGJLSIZWZOAKYJJ-JQIJEIRASA-N
MW269.38 g/mol
LogP3.84
Rot. Bonds2

About [(E)-(2-methoxycyclododecylidene)amino] acetate

[(E)-(2-methoxycyclododecylidene)amino] acetate (PubChem CID 15685671) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is [(E)-(2-methoxycyclododecylidene)amino] acetate.

Molecular Properties

Compound Name[(E)-(2-methoxycyclododecylidene)amino] acetate
PubChem CID15685671
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name[(E)-(2-methoxycyclododecylidene)amino] acetate
SMILESCOC1CCCCCCCCCC/C1=N\OC(C)=O
InChIInChI=1S/C15H27NO3/c1-13(17)19-16-14-11-9-7-5-3-4-6-8-10-12-15(14)18-2/h15H,3-12H2,1-2H3/b16-14+
InChIKeyGJLSIZWZOAKYJJ-JQIJEIRASA-N
XLogP3.84
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze [(E)-(2-methoxycyclododecylidene)amino] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-(2-methoxycyclododecylidene)amino] acetate?
The IUPAC name of [(E)-(2-methoxycyclododecylidene)amino] acetate (CID 15685671) is [(E)-(2-methoxycyclododecylidene)amino] acetate.
What is the SMILES notation for [(E)-(2-methoxycyclododecylidene)amino] acetate?
The canonical SMILES for [(E)-(2-methoxycyclododecylidene)amino] acetate is COC1CCCCCCCCCC/C1=N\OC(C)=O.
What is the InChIKey of [(E)-(2-methoxycyclododecylidene)amino] acetate?
The InChIKey is GJLSIZWZOAKYJJ-JQIJEIRASA-N. The full InChI is InChI=1S/C15H27NO3/c1-13(17)19-16-14-11-9-7-5-3-4-6-8-10-12-15(14)18-2/h15H,3-12H2,1-2H3/b16-14+.
What are the key properties of [(E)-(2-methoxycyclododecylidene)amino] acetate?
[(E)-(2-methoxycyclododecylidene)amino] acetate has a molecular weight of 269.38 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-methoxycyclododecylidene)amino] acetate is sourced from PubChem (CID 15685671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).