4-[3,3-diethyl-1-(furan-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid

C20H22N2O6 — CID 10091533

IUPAC4-[3,3-diethyl-1-(furan-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid
SMILESCCC1(CC)C(=O)N(C(=O)NCc2ccco2)C1Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C20H22N2O6/c1-3-20(4-2)17(25)22(19(26)21-12-15-6-5-11-27-15)18(20)28-14-9-7-13(8-10-14)16(23)24/h5-11,18H,3-4,12H2,1-2H3,(H,21,26)(H,23,24)
InChIKeyUOHLGCHEMKNMCR-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.24
Rot. Bonds7

About 4-[3,3-diethyl-1-(furan-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid

4-[3,3-diethyl-1-(furan-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid (PubChem CID 10091533) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is 4-[3,3-diethyl-1-(furan-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid.

Molecular Properties

Compound Name4-[3,3-diethyl-1-(furan-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid
PubChem CID10091533
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name4-[3,3-diethyl-1-(furan-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid
SMILESCCC1(CC)C(=O)N(C(=O)NCc2ccco2)C1Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C20H22N2O6/c1-3-20(4-2)17(25)22(19(26)21-12-15-6-5-11-27-15)18(20)28-14-9-7-13(8-10-14)16(23)24/h5-11,18H,3-4,12H2,1-2H3,(H,21,26)(H,23,24)
InChIKeyUOHLGCHEMKNMCR-UHFFFAOYSA-N
XLogP3.24
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3,3-diethyl-4-oxo-1-(6-phenylhexylcarbamoyl)azetidin-2-yl]oxybenzoic acid
CID 10479667
4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid
CID 97203993
benzyl 4-[(2S)-3,3-diethyl-4-oxo-1-[4-[4-(trifluoromethyl)phenyl]but-3-enylcarbamoyl]azetidin-2-yl]oxybenzoate
CID 68732205
3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid
CID 61189153
tert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate
CID 10093833
(2S)-2-[4-[2-(dimethylamino)ethyl-ethylcarbamoyl]phenoxy]-3,3-diethyl-4-oxo-N-[4-[4-(trifluoromethyl)phenyl]butyl]azetidine-1-carboxamide
CID 68731607
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 94272659
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362
4-bromo-3-(furan-2-ylmethylcarbamoylamino)benzoic acid
CID 107813898
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-propoxybenzamide
CID 18118956
N-(furan-2-ylmethyl)-4-heptoxybenzamide
CID 3131904

Frequently Asked Questions

What is the IUPAC name of 4-[3,3-diethyl-1-(furan-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid?
The IUPAC name of 4-[3,3-diethyl-1-(furan-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid (CID 10091533) is 4-[3,3-diethyl-1-(furan-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid.
What is the SMILES notation for 4-[3,3-diethyl-1-(furan-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid?
The canonical SMILES for 4-[3,3-diethyl-1-(furan-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid is CCC1(CC)C(=O)N(C(=O)NCc2ccco2)C1Oc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[3,3-diethyl-1-(furan-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid?
The InChIKey is UOHLGCHEMKNMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-3-20(4-2)17(25)22(19(26)21-12-15-6-5-11-27-15)18(20)28-14-9-7-13(8-10-14)16(23)24/h5-11,18H,3-4,12H2,1-2H3,(H,21,26)(H,23,24).
What are the key properties of 4-[3,3-diethyl-1-(furan-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid?
4-[3,3-diethyl-1-(furan-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid has a molecular weight of 386.40 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-diethyl-1-(furan-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid is sourced from PubChem (CID 10091533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).