N-(diaminomethylidene)-2-ethoxyacetamide

C5H11N3O2 — CID 55290245

IUPACN-(diaminomethylidene)-2-ethoxyacetamide
SMILESCCOCC(=O)N=C(N)N
InChIInChI=1S/C5H11N3O2/c1-2-10-3-4(9)8-5(6)7/h2-3H2,1H3,(H4,6,7,8,9)
InChIKeyJXYSNEPXPLFQGF-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.18
Rot. Bonds3

About N-(diaminomethylidene)-2-ethoxyacetamide

N-(diaminomethylidene)-2-ethoxyacetamide (PubChem CID 55290245) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-ethoxyacetamide
PubChem CID55290245
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC NameN-(diaminomethylidene)-2-ethoxyacetamide
SMILESCCOCC(=O)N=C(N)N
InChIInChI=1S/C5H11N3O2/c1-2-10-3-4(9)8-5(6)7/h2-3H2,1H3,(H4,6,7,8,9)
InChIKeyJXYSNEPXPLFQGF-UHFFFAOYSA-N
XLogP-1.18
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-ethoxyacetamide?
The IUPAC name of N-(diaminomethylidene)-2-ethoxyacetamide (CID 55290245) is N-(diaminomethylidene)-2-ethoxyacetamide.
What is the SMILES notation for N-(diaminomethylidene)-2-ethoxyacetamide?
The canonical SMILES for N-(diaminomethylidene)-2-ethoxyacetamide is CCOCC(=O)N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-2-ethoxyacetamide?
The InChIKey is JXYSNEPXPLFQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-2-10-3-4(9)8-5(6)7/h2-3H2,1H3,(H4,6,7,8,9).
What are the key properties of N-(diaminomethylidene)-2-ethoxyacetamide?
N-(diaminomethylidene)-2-ethoxyacetamide has a molecular weight of 145.16 g/mol, XLogP of -1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-ethoxyacetamide is sourced from PubChem (CID 55290245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).