5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid

C16H19NO4 — CID 65295011

IUPAC5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid
SMILESCCC1COCCN1Cc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C16H19NO4/c1-2-13-10-20-6-5-17(13)9-11-3-4-14-12(7-11)8-15(21-14)16(18)19/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,18,19)
InChIKeyGRKUXGVAGIHWDC-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.74
Rot. Bonds4

About 5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid

5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid (PubChem CID 65295011) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid
PubChem CID65295011
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid
SMILESCCC1COCCN1Cc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C16H19NO4/c1-2-13-10-20-6-5-17(13)9-11-3-4-14-12(7-11)8-15(21-14)16(18)19/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,18,19)
InChIKeyGRKUXGVAGIHWDC-UHFFFAOYSA-N
XLogP2.74
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethylmorpholin-4-yl)methyl]aniline
CID 43611627
4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid
CID 106793496
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
3-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]prop-2-enoic acid
CID 76909426
5-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295449
4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine
CID 103998079
5-[(2,6-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295059
4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 43613257
5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295104
2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid
CID 43613412
3-bromo-4-[(3-ethylmorpholin-4-yl)methyl]aniline
CID 60790715
5-[[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-benzofuran-2-carboxylic acid
CID 136583254

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid (CID 65295011) is 5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid is CCC1COCCN1Cc1ccc2oc(C(=O)O)cc2c1.
What is the InChIKey of 5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid?
The InChIKey is GRKUXGVAGIHWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-2-13-10-20-6-5-17(13)9-11-3-4-14-12(7-11)8-15(21-14)16(18)19/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,18,19).
What are the key properties of 5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid?
5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 65295011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).