2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid

C15H19NO5 — CID 106305518

IUPAC2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(CNCCCOCCO)oc2ccccc12
InChIInChI=1S/C15H19NO5/c17-7-9-20-8-3-6-16-10-13-14(15(18)19)11-4-1-2-5-12(11)21-13/h1-2,4-5,16-17H,3,6-10H2,(H,18,19)
InChIKeyUTNUTONGIPLKCP-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.62
Rot. Bonds9

About 2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid

2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid (PubChem CID 106305518) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid
PubChem CID106305518
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(CNCCCOCCO)oc2ccccc12
InChIInChI=1S/C15H19NO5/c17-7-9-20-8-3-6-16-10-13-14(15(18)19)11-4-1-2-5-12(11)21-13/h1-2,4-5,16-17H,3,6-10H2,(H,18,19)
InChIKeyUTNUTONGIPLKCP-UHFFFAOYSA-N
XLogP1.62
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]-1-benzofuran-3-carboxylic acid
CID 106238438
2-[(cyclopropylmethylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103231163
2-[(3-methylsulfonylpropylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103242072
2-[(pent-4-ynylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 106222662
2-[(3-methylsulfinylpropylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103264990
2-[(5-methylhexylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103260634
2-[(3,3,3-trifluoropropylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103250348
2-[(thiophen-2-ylmethylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103237396
2-[(2,3-dimethylbutylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103254414
5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid
CID 106305544
2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid
CID 63686877
2-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103265358

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid (CID 106305518) is 2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid is O=C(O)c1c(CNCCCOCCO)oc2ccccc12.
What is the InChIKey of 2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid?
The InChIKey is UTNUTONGIPLKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-7-9-20-8-3-6-16-10-13-14(15(18)19)11-4-1-2-5-12(11)21-13/h1-2,4-5,16-17H,3,6-10H2,(H,18,19).
What are the key properties of 2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid?
2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.62, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 106305518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).