N-(diaminomethylidene)-5-(2-ethoxyphenyl)furan-2-carboxamide

C14H15N3O3 — CID 11311839

IUPACN-(diaminomethylidene)-5-(2-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccccc1-c1ccc(C(=O)N=C(N)N)o1
InChIInChI=1S/C14H15N3O3/c1-2-19-10-6-4-3-5-9(10)11-7-8-12(20-11)13(18)17-14(15)16/h3-8H,2H2,1H3,(H4,15,16,17,18)
InChIKeyFHOFYDXQDVYNJU-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.76
Rot. Bonds4

About N-(diaminomethylidene)-5-(2-ethoxyphenyl)furan-2-carboxamide

N-(diaminomethylidene)-5-(2-ethoxyphenyl)furan-2-carboxamide (PubChem CID 11311839) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-(2-ethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-(2-ethoxyphenyl)furan-2-carboxamide
PubChem CID11311839
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(diaminomethylidene)-5-(2-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccccc1-c1ccc(C(=O)N=C(N)N)o1
InChIInChI=1S/C14H15N3O3/c1-2-19-10-6-4-3-5-9(10)11-7-8-12(20-11)13(18)17-14(15)16/h3-8H,2H2,1H3,(H4,15,16,17,18)
InChIKeyFHOFYDXQDVYNJU-UHFFFAOYSA-N
XLogP1.76
TPSA103.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-5-(2-ethoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5-(2-ethoxyphenyl)furan-2-carboxamide (CID 11311839) is N-(diaminomethylidene)-5-(2-ethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5-(2-ethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5-(2-ethoxyphenyl)furan-2-carboxamide is CCOc1ccccc1-c1ccc(C(=O)N=C(N)N)o1.
What is the InChIKey of N-(diaminomethylidene)-5-(2-ethoxyphenyl)furan-2-carboxamide?
The InChIKey is FHOFYDXQDVYNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-19-10-6-4-3-5-9(10)11-7-8-12(20-11)13(18)17-14(15)16/h3-8H,2H2,1H3,(H4,15,16,17,18).
What are the key properties of N-(diaminomethylidene)-5-(2-ethoxyphenyl)furan-2-carboxamide?
N-(diaminomethylidene)-5-(2-ethoxyphenyl)furan-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-(2-ethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 11311839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).