N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid

C18H22N2O8 — CID 11948892

IUPACN-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid
SMILESCOc1cccc(CNCCNC(=O)c2ccco2)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C16H20N2O4.C2H2O4/c1-20-13-6-3-5-12(15(13)21-2)11-17-8-9-18-16(19)14-7-4-10-22-14;3-1(4)2(5)6/h3-7,10,17H,8-9,11H2,1-2H3,(H,18,19);(H,3,4)(H,5,6)
InChIKeyNYMUOUQTXXGBOE-UHFFFAOYSA-N
MW394.38 g/mol
LogP0.97
Rot. Bonds8

About N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid

N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid (PubChem CID 11948892) has the molecular formula C18H22N2O8 and a molecular weight of 394.38 g/mol. Its IUPAC name is N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid
PubChem CID11948892
Molecular FormulaC18H22N2O8
Molecular Weight394.38 g/mol
Exact Mass394.14
IUPAC NameN-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid
SMILESCOc1cccc(CNCCNC(=O)c2ccco2)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C16H20N2O4.C2H2O4/c1-20-13-6-3-5-12(15(13)21-2)11-17-8-9-18-16(19)14-7-4-10-22-14;3-1(4)2(5)6/h3-7,10,17H,8-9,11H2,1-2H3,(H,18,19);(H,3,4)(H,5,6)
InChIKeyNYMUOUQTXXGBOE-UHFFFAOYSA-N
XLogP0.97
TPSA147.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-[(2,3-dimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid?
The IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid (CID 11948892) is N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid.
What is the SMILES notation for N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid?
The canonical SMILES for N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid is COc1cccc(CNCCNC(=O)c2ccco2)c1OC.O=C(O)C(=O)O.
What is the InChIKey of N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid?
The InChIKey is NYMUOUQTXXGBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4.C2H2O4/c1-20-13-6-3-5-12(15(13)21-2)11-17-8-9-18-16(19)14-7-4-10-22-14;3-1(4)2(5)6/h3-7,10,17H,8-9,11H2,1-2H3,(H,18,19);(H,3,4)(H,5,6).
What are the key properties of N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid?
N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid has a molecular weight of 394.38 g/mol, XLogP of 0.97, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid is sourced from PubChem (CID 11948892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).