ethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid

C19H23NO8 — CID 2923338

IUPACethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid
SMILESCCOC(=O)c1ccc(OCCCNCc2ccco2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H21NO4.C2H2O4/c1-2-20-17(19)14-6-8-15(9-7-14)21-12-4-10-18-13-16-5-3-11-22-16;3-1(4)2(5)6/h3,5-9,11,18H,2,4,10,12-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyJLESSLQVBKMBEB-UHFFFAOYSA-N
MW393.39 g/mol
LogP2.17
Rot. Bonds9

About ethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid

ethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid (PubChem CID 2923338) has the molecular formula C19H23NO8 and a molecular weight of 393.39 g/mol. Its IUPAC name is ethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid.

Molecular Properties

Compound Nameethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid
PubChem CID2923338
Molecular FormulaC19H23NO8
Molecular Weight393.39 g/mol
Exact Mass393.14
IUPAC Nameethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid
SMILESCCOC(=O)c1ccc(OCCCNCc2ccco2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H21NO4.C2H2O4/c1-2-20-17(19)14-6-8-15(9-7-14)21-12-4-10-18-13-16-5-3-11-22-16;3-1(4)2(5)6/h3,5-9,11,18H,2,4,10,12-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyJLESSLQVBKMBEB-UHFFFAOYSA-N
XLogP2.17
TPSA135.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 52.17
H-Bond Donors ≤ 53
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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Related Compounds

N-(furan-2-ylmethyl)-3-(4-nitrophenoxy)propan-1-amine;oxalic acid
CID 2922774
N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid
CID 126477756
ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765345
butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate
CID 7984445
N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine
CID 54797964
N-(furan-2-ylmethyl)-4-heptoxybenzamide
CID 3131904
ethyl 4-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]amino]benzoate
CID 3122901
ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate
CID 23332336
2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide
CID 54818809
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid?
The IUPAC name of ethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid (CID 2923338) is ethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid.
What is the SMILES notation for ethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid?
The canonical SMILES for ethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid is CCOC(=O)c1ccc(OCCCNCc2ccco2)cc1.O=C(O)C(=O)O.
What is the InChIKey of ethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid?
The InChIKey is JLESSLQVBKMBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4.C2H2O4/c1-2-20-17(19)14-6-8-15(9-7-14)21-12-4-10-18-13-16-5-3-11-22-16;3-1(4)2(5)6/h3,5-9,11,18H,2,4,10,12-13H2,1H3;(H,3,4)(H,5,6).
What are the key properties of ethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid?
ethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid has a molecular weight of 393.39 g/mol, XLogP of 2.17, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid is sourced from PubChem (CID 2923338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).