2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid

C20H24N2O5 — CID 110097035

IUPAC2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid
SMILESCN(C)C(=O)C1(C)CN(Cc2ccc(-c3ccccc3C(=O)O)o2)CCO1
InChIInChI=1S/C20H24N2O5/c1-20(19(25)21(2)3)13-22(10-11-26-20)12-14-8-9-17(27-14)15-6-4-5-7-16(15)18(23)24/h4-9H,10-13H2,1-3H3,(H,23,24)
InChIKeyFCKWISQEMXYJGH-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.32
Rot. Bonds5

About 2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid

2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid (PubChem CID 110097035) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid
PubChem CID110097035
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid
SMILESCN(C)C(=O)C1(C)CN(Cc2ccc(-c3ccccc3C(=O)O)o2)CCO1
InChIInChI=1S/C20H24N2O5/c1-20(19(25)21(2)3)13-22(10-11-26-20)12-14-8-9-17(27-14)15-6-4-5-7-16(15)18(23)24/h4-9H,10-13H2,1-3H3,(H,23,24)
InChIKeyFCKWISQEMXYJGH-UHFFFAOYSA-N
XLogP2.32
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid with MolForge

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Related Compounds

2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid
CID 124969662
(2R)-N,N,2-trimethyl-4-(2-phenylethyl)morpholine-2-carboxamide
CID 95839205
2-[5-[[(3R)-3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]benzoic acid
CID 124999167
(2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124948384
2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 125020894
(2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide
CID 95839658
1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046247
N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 127247739
(2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
CID 95845936
(2R)-N,N,2-trimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124946658
(2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide
CID 124948546
2-[5-(2-aminoethyl)furan-2-yl]benzoic acid
CID 170888008

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid?
The IUPAC name of 2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid (CID 110097035) is 2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid is CN(C)C(=O)C1(C)CN(Cc2ccc(-c3ccccc3C(=O)O)o2)CCO1.
What is the InChIKey of 2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid?
The InChIKey is FCKWISQEMXYJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-20(19(25)21(2)3)13-22(10-11-26-20)12-14-8-9-17(27-14)15-6-4-5-7-16(15)18(23)24/h4-9H,10-13H2,1-3H3,(H,23,24).
What are the key properties of 2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid?
2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid has a molecular weight of 372.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 110097035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).