2,2-dimethyl-4-(1-morpholin-4-ylpropan-2-yloxy)-3H-1-benzofuran-6-carboxylic acid

C18H25NO5 — CID 67482901

IUPAC2,2-dimethyl-4-(1-morpholin-4-ylpropan-2-yloxy)-3H-1-benzofuran-6-carboxylic acid
SMILESCC(CN1CCOCC1)Oc1cc(C(=O)O)cc2c1CC(C)(C)O2
InChIInChI=1S/C18H25NO5/c1-12(11-19-4-6-22-7-5-19)23-15-8-13(17(20)21)9-16-14(15)10-18(2,3)24-16/h8-9,12H,4-7,10-11H2,1-3H3,(H,20,21)
InChIKeyIFSMLXMFPSJSEU-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.20
Rot. Bonds5

About 2,2-dimethyl-4-(1-morpholin-4-ylpropan-2-yloxy)-3H-1-benzofuran-6-carboxylic acid

2,2-dimethyl-4-(1-morpholin-4-ylpropan-2-yloxy)-3H-1-benzofuran-6-carboxylic acid (PubChem CID 67482901) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2,2-dimethyl-4-(1-morpholin-4-ylpropan-2-yloxy)-3H-1-benzofuran-6-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(1-morpholin-4-ylpropan-2-yloxy)-3H-1-benzofuran-6-carboxylic acid
PubChem CID67482901
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name2,2-dimethyl-4-(1-morpholin-4-ylpropan-2-yloxy)-3H-1-benzofuran-6-carboxylic acid
SMILESCC(CN1CCOCC1)Oc1cc(C(=O)O)cc2c1CC(C)(C)O2
InChIInChI=1S/C18H25NO5/c1-12(11-19-4-6-22-7-5-19)23-15-8-13(17(20)21)9-16-14(15)10-18(2,3)24-16/h8-9,12H,4-7,10-11H2,1-3H3,(H,20,21)
InChIKeyIFSMLXMFPSJSEU-UHFFFAOYSA-N
XLogP2.20
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-hydroxy-2-methylpropoxy)-2,2-dimethyl-3H-1-benzofuran-6-carboxylic acid
CID 67482631
[(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 844388
2,2-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3H-1-benzofuran-6-carboxylic acid
CID 67482810
4-[(6-cyano-3-pyridinyl)oxy]-2,2-dimethyl-3H-1-benzofuran-6-carboxylic acid
CID 67482285
1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 654982
1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride
CID 53312685
1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate
CID 123332358
methyl 4-[(2S)-1-iodo-3-phenylpropan-2-yl]oxy-2,2-dimethyl-3H-1-benzofuran-6-carboxylate
CID 67486425
1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate
CID 3151287
5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81439860
6-fluoro-2,2-dimethyl-3H-1-benzofuran-4-carboxylic acid
CID 123948418
1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate
CID 84600441

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(1-morpholin-4-ylpropan-2-yloxy)-3H-1-benzofuran-6-carboxylic acid?
The IUPAC name of 2,2-dimethyl-4-(1-morpholin-4-ylpropan-2-yloxy)-3H-1-benzofuran-6-carboxylic acid (CID 67482901) is 2,2-dimethyl-4-(1-morpholin-4-ylpropan-2-yloxy)-3H-1-benzofuran-6-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-4-(1-morpholin-4-ylpropan-2-yloxy)-3H-1-benzofuran-6-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-4-(1-morpholin-4-ylpropan-2-yloxy)-3H-1-benzofuran-6-carboxylic acid is CC(CN1CCOCC1)Oc1cc(C(=O)O)cc2c1CC(C)(C)O2.
What is the InChIKey of 2,2-dimethyl-4-(1-morpholin-4-ylpropan-2-yloxy)-3H-1-benzofuran-6-carboxylic acid?
The InChIKey is IFSMLXMFPSJSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-12(11-19-4-6-22-7-5-19)23-15-8-13(17(20)21)9-16-14(15)10-18(2,3)24-16/h8-9,12H,4-7,10-11H2,1-3H3,(H,20,21).
What are the key properties of 2,2-dimethyl-4-(1-morpholin-4-ylpropan-2-yloxy)-3H-1-benzofuran-6-carboxylic acid?
2,2-dimethyl-4-(1-morpholin-4-ylpropan-2-yloxy)-3H-1-benzofuran-6-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(1-morpholin-4-ylpropan-2-yloxy)-3H-1-benzofuran-6-carboxylic acid is sourced from PubChem (CID 67482901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).