formaldehyde;2-O-[2-(prop-2-enoylamino)ethyl] 1-O-[2-(prop-2-enylamino)ethyl] oxalate

C13H20N2O6 — CID 144859324

IUPACformaldehyde;2-O-[2-(prop-2-enoylamino)ethyl] 1-O-[2-(prop-2-enylamino)ethyl] oxalate
SMILESC=CCNCCOC(=O)C(=O)OCCNC(=O)C=C.C=O
InChIInChI=1S/C12H18N2O5.CH2O/c1-3-5-13-6-8-18-11(16)12(17)19-9-7-14-10(15)4-2;1-2/h3-4,13H,1-2,5-9H2,(H,14,15);1H2
InChIKeyKGDAWPTXZAFCOM-UHFFFAOYSA-N
MW300.31 g/mol
LogP-1.03
Rot. Bonds9

About formaldehyde;2-O-[2-(prop-2-enoylamino)ethyl] 1-O-[2-(prop-2-enylamino)ethyl] oxalate

formaldehyde;2-O-[2-(prop-2-enoylamino)ethyl] 1-O-[2-(prop-2-enylamino)ethyl] oxalate (PubChem CID 144859324) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is formaldehyde;2-O-[2-(prop-2-enoylamino)ethyl] 1-O-[2-(prop-2-enylamino)ethyl] oxalate.

Molecular Properties

Compound Nameformaldehyde;2-O-[2-(prop-2-enoylamino)ethyl] 1-O-[2-(prop-2-enylamino)ethyl] oxalate
PubChem CID144859324
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Nameformaldehyde;2-O-[2-(prop-2-enoylamino)ethyl] 1-O-[2-(prop-2-enylamino)ethyl] oxalate
SMILESC=CCNCCOC(=O)C(=O)OCCNC(=O)C=C.C=O
InChIInChI=1S/C12H18N2O5.CH2O/c1-3-5-13-6-8-18-11(16)12(17)19-9-7-14-10(15)4-2;1-2/h3-4,13H,1-2,5-9H2,(H,14,15);1H2
InChIKeyKGDAWPTXZAFCOM-UHFFFAOYSA-N
XLogP-1.03
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze formaldehyde;2-O-[2-(prop-2-enoylamino)ethyl] 1-O-[2-(prop-2-enylamino)ethyl] oxalate 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 formaldehyde;2-O-[2-(prop-2-enoylamino)ethyl] 1-O-[2-(prop-2-enylamino)ethyl] oxalate?
The IUPAC name of formaldehyde;2-O-[2-(prop-2-enoylamino)ethyl] 1-O-[2-(prop-2-enylamino)ethyl] oxalate (CID 144859324) is formaldehyde;2-O-[2-(prop-2-enoylamino)ethyl] 1-O-[2-(prop-2-enylamino)ethyl] oxalate.
What is the SMILES notation for formaldehyde;2-O-[2-(prop-2-enoylamino)ethyl] 1-O-[2-(prop-2-enylamino)ethyl] oxalate?
The canonical SMILES for formaldehyde;2-O-[2-(prop-2-enoylamino)ethyl] 1-O-[2-(prop-2-enylamino)ethyl] oxalate is C=CCNCCOC(=O)C(=O)OCCNC(=O)C=C.C=O.
What is the InChIKey of formaldehyde;2-O-[2-(prop-2-enoylamino)ethyl] 1-O-[2-(prop-2-enylamino)ethyl] oxalate?
The InChIKey is KGDAWPTXZAFCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5.CH2O/c1-3-5-13-6-8-18-11(16)12(17)19-9-7-14-10(15)4-2;1-2/h3-4,13H,1-2,5-9H2,(H,14,15);1H2.
What are the key properties of formaldehyde;2-O-[2-(prop-2-enoylamino)ethyl] 1-O-[2-(prop-2-enylamino)ethyl] oxalate?
formaldehyde;2-O-[2-(prop-2-enoylamino)ethyl] 1-O-[2-(prop-2-enylamino)ethyl] oxalate has a molecular weight of 300.31 g/mol, XLogP of -1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-O-[2-(prop-2-enoylamino)ethyl] 1-O-[2-(prop-2-enylamino)ethyl] oxalate is sourced from PubChem (CID 144859324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).