N-[2-(2-aminoethoxy)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide

C16H20N2O4 — CID 58219008

IUPACN-[2-(2-aminoethoxy)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
SMILESCC1(c2ccccc2)OC(C(=O)NCCOCCN)=CC1=O
InChIInChI=1S/C16H20N2O4/c1-16(12-5-3-2-4-6-12)14(19)11-13(22-16)15(20)18-8-10-21-9-7-17/h2-6,11H,7-10,17H2,1H3,(H,18,20)
InChIKeyMOTRSZVADAEEBU-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.48
Rot. Bonds7

About N-[2-(2-aminoethoxy)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide

N-[2-(2-aminoethoxy)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide (PubChem CID 58219008) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
PubChem CID58219008
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
SMILESCC1(c2ccccc2)OC(C(=O)NCCOCCN)=CC1=O
InChIInChI=1S/C16H20N2O4/c1-16(12-5-3-2-4-6-12)14(19)11-13(22-16)15(20)18-8-10-21-9-7-17/h2-6,11H,7-10,17H2,1H3,(H,18,20)
InChIKeyMOTRSZVADAEEBU-UHFFFAOYSA-N
XLogP0.48
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide (CID 58219008) is N-[2-(2-aminoethoxy)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide is CC1(c2ccccc2)OC(C(=O)NCCOCCN)=CC1=O.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide?
The InChIKey is MOTRSZVADAEEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-16(12-5-3-2-4-6-12)14(19)11-13(22-16)15(20)18-8-10-21-9-7-17/h2-6,11H,7-10,17H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide?
N-[2-(2-aminoethoxy)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide is sourced from PubChem (CID 58219008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).