2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate

C11H18N2O4 — CID 59709599

IUPAC2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate
SMILES[C-]#[N+]CCN(CCOC(C)=O)CCOC(C)=O
InChIInChI=1S/C11H18N2O4/c1-10(14)16-8-6-13(5-4-12-3)7-9-17-11(2)15/h4-9H2,1-2H3
InChIKeyFYDCTNKMYYZJNI-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.33
Rot. Bonds8

About 2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate

2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate (PubChem CID 59709599) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate
PubChem CID59709599
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate
SMILES[C-]#[N+]CCN(CCOC(C)=O)CCOC(C)=O
InChIInChI=1S/C11H18N2O4/c1-10(14)16-8-6-13(5-4-12-3)7-9-17-11(2)15/h4-9H2,1-2H3
InChIKeyFYDCTNKMYYZJNI-UHFFFAOYSA-N
XLogP0.33
TPSA60.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate
CID 57261073
2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate
CID 150794446
3-[2-acetyloxyethyl(2-cyanoethyl)amino]propanoic acid
CID 140529555
2-[2-acetyloxyethyl-[(E)-but-2-enyl]amino]ethyl acetate
CID 142215768
2-[bis(2-hydroxyethyl)amino]ethyl acetate;N,N-dimethylmethanamine;ethyl acetate;2-hydroxyethyl acetate
CID 142901861
2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate
CID 138394684
ethane;2-[methyl(propyl)amino]ethyl acetate
CID 143043646
2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 23544927
2-[2-chloroethyl(ethyl)amino]ethyl acetate;iodomethane
CID 159717423
2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate
CID 23544922
pentadecyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 13007527
2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane
CID 142272476

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate?
The IUPAC name of 2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate (CID 59709599) is 2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate.
What is the SMILES notation for 2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate?
The canonical SMILES for 2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate is [C-]#[N+]CCN(CCOC(C)=O)CCOC(C)=O.
What is the InChIKey of 2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate?
The InChIKey is FYDCTNKMYYZJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-10(14)16-8-6-13(5-4-12-3)7-9-17-11(2)15/h4-9H2,1-2H3.
What are the key properties of 2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate?
2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate has a molecular weight of 242.27 g/mol, XLogP of 0.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate is sourced from PubChem (CID 59709599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).