2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid

C18H20N2O5 — CID 2804715

IUPAC2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid
SMILESCC1CN(c2ccc(NC(=O)c3ccco3)cc2C(=O)O)CC(C)O1
InChIInChI=1S/C18H20N2O5/c1-11-9-20(10-12(2)25-11)15-6-5-13(8-14(15)18(22)23)19-17(21)16-4-3-7-24-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyLLCOYIOVVQQVSV-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.84
Rot. Bonds4

About 2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid

2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid (PubChem CID 2804715) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid
PubChem CID2804715
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid
SMILESCC1CN(c2ccc(NC(=O)c3ccco3)cc2C(=O)O)CC(C)O1
InChIInChI=1S/C18H20N2O5/c1-11-9-20(10-12(2)25-11)15-6-5-13(8-14(15)18(22)23)19-17(21)16-4-3-7-24-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyLLCOYIOVVQQVSV-UHFFFAOYSA-N
XLogP2.84
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
CID 1320461
N-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55877442
N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide
CID 886010
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42671906
N-[3-[methyl(phenyl)carbamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide
CID 6463083
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42678369
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
CID 2993823
N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide
CID 4042183
N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 122182201
N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
CID 42757063
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
CID 1092657

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid (CID 2804715) is 2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid is CC1CN(c2ccc(NC(=O)c3ccco3)cc2C(=O)O)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid?
The InChIKey is LLCOYIOVVQQVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11-9-20(10-12(2)25-11)15-6-5-13(8-14(15)18(22)23)19-17(21)16-4-3-7-24-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid?
2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid has a molecular weight of 344.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid is sourced from PubChem (CID 2804715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).