N-formyl-N-[3-[[formyl(propoxymethyl)amino]oxymethoxy]propyl]prop-2-enamide

C13H22N2O6 — CID 89066113

IUPACN-formyl-N-[3-[[formyl(propoxymethyl)amino]oxymethoxy]propyl]prop-2-enamide
SMILESC=CC(=O)N(C=O)CCCOCON(C=O)COCCC
InChIInChI=1S/C13H22N2O6/c1-3-7-19-11-15(10-17)21-12-20-8-5-6-14(9-16)13(18)4-2/h4,9-10H,2-3,5-8,11-12H2,1H3
InChIKeyFTGVKZLWVLJPTP-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.30
Rot. Bonds14

About N-formyl-N-[3-[[formyl(propoxymethyl)amino]oxymethoxy]propyl]prop-2-enamide

N-formyl-N-[3-[[formyl(propoxymethyl)amino]oxymethoxy]propyl]prop-2-enamide (PubChem CID 89066113) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-formyl-N-[3-[[formyl(propoxymethyl)amino]oxymethoxy]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-formyl-N-[3-[[formyl(propoxymethyl)amino]oxymethoxy]propyl]prop-2-enamide
PubChem CID89066113
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC NameN-formyl-N-[3-[[formyl(propoxymethyl)amino]oxymethoxy]propyl]prop-2-enamide
SMILESC=CC(=O)N(C=O)CCCOCON(C=O)COCCC
InChIInChI=1S/C13H22N2O6/c1-3-7-19-11-15(10-17)21-12-20-8-5-6-14(9-16)13(18)4-2/h4,9-10H,2-3,5-8,11-12H2,1H3
InChIKeyFTGVKZLWVLJPTP-UHFFFAOYSA-N
XLogP0.30
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 N-formyl-N-[3-[[formyl(propoxymethyl)amino]oxymethoxy]propyl]prop-2-enamide?
The IUPAC name of N-formyl-N-[3-[[formyl(propoxymethyl)amino]oxymethoxy]propyl]prop-2-enamide (CID 89066113) is N-formyl-N-[3-[[formyl(propoxymethyl)amino]oxymethoxy]propyl]prop-2-enamide.
What is the SMILES notation for N-formyl-N-[3-[[formyl(propoxymethyl)amino]oxymethoxy]propyl]prop-2-enamide?
The canonical SMILES for N-formyl-N-[3-[[formyl(propoxymethyl)amino]oxymethoxy]propyl]prop-2-enamide is C=CC(=O)N(C=O)CCCOCON(C=O)COCCC.
What is the InChIKey of N-formyl-N-[3-[[formyl(propoxymethyl)amino]oxymethoxy]propyl]prop-2-enamide?
The InChIKey is FTGVKZLWVLJPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-3-7-19-11-15(10-17)21-12-20-8-5-6-14(9-16)13(18)4-2/h4,9-10H,2-3,5-8,11-12H2,1H3.
What are the key properties of N-formyl-N-[3-[[formyl(propoxymethyl)amino]oxymethoxy]propyl]prop-2-enamide?
N-formyl-N-[3-[[formyl(propoxymethyl)amino]oxymethoxy]propyl]prop-2-enamide has a molecular weight of 302.33 g/mol, XLogP of 0.30, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-[3-[[formyl(propoxymethyl)amino]oxymethoxy]propyl]prop-2-enamide is sourced from PubChem (CID 89066113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).