N-[2-[(4-ethylphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid

C18H22N2O6 — CID 56603517

IUPACN-[2-[(4-ethylphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid
SMILESCCc1ccc(CNCCNC(=O)c2ccco2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H20N2O2.C2H2O4/c1-2-13-5-7-14(8-6-13)12-17-9-10-18-16(19)15-4-3-11-20-15;3-1(4)2(5)6/h3-8,11,17H,2,9-10,12H2,1H3,(H,18,19);(H,3,4)(H,5,6)
InChIKeyVHLPJXWMZYYFTC-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.52
Rot. Bonds7

About N-[2-[(4-ethylphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid

N-[2-[(4-ethylphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid (PubChem CID 56603517) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[2-[(4-ethylphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-[2-[(4-ethylphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid
PubChem CID56603517
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC NameN-[2-[(4-ethylphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid
SMILESCCc1ccc(CNCCNC(=O)c2ccco2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H20N2O2.C2H2O4/c1-2-13-5-7-14(8-6-13)12-17-9-10-18-16(19)15-4-3-11-20-15;3-1(4)2(5)6/h3-8,11,17H,2,9-10,12H2,1H3,(H,18,19);(H,3,4)(H,5,6)
InChIKeyVHLPJXWMZYYFTC-UHFFFAOYSA-N
XLogP1.52
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethylphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid?
The IUPAC name of N-[2-[(4-ethylphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid (CID 56603517) is N-[2-[(4-ethylphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid.
What is the SMILES notation for N-[2-[(4-ethylphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid?
The canonical SMILES for N-[2-[(4-ethylphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid is CCc1ccc(CNCCNC(=O)c2ccco2)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-[(4-ethylphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid?
The InChIKey is VHLPJXWMZYYFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.C2H2O4/c1-2-13-5-7-14(8-6-13)12-17-9-10-18-16(19)15-4-3-11-20-15;3-1(4)2(5)6/h3-8,11,17H,2,9-10,12H2,1H3,(H,18,19);(H,3,4)(H,5,6).
What are the key properties of N-[2-[(4-ethylphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid?
N-[2-[(4-ethylphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid has a molecular weight of 362.38 g/mol, XLogP of 1.52, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethylphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid is sourced from PubChem (CID 56603517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).