[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate

C18H20N2O5 — CID 18099034

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate
SMILESCc1ccoc1C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H20N2O5/c1-13-6-9-24-17(13)18(22)25-12-16(21)19-14-2-4-15(5-3-14)20-7-10-23-11-8-20/h2-6,9H,7-8,10-12H2,1H3,(H,19,21)
InChIKeyNOMKSNMEUFJKRS-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.22
Rot. Bonds5

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate (PubChem CID 18099034) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate
PubChem CID18099034
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate
SMILESCc1ccoc1C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H20N2O5/c1-13-6-9-24-17(13)18(22)25-12-16(21)19-14-2-4-15(5-3-14)20-7-10-23-11-8-20/h2-6,9H,7-8,10-12H2,1H3,(H,19,21)
InChIKeyNOMKSNMEUFJKRS-UHFFFAOYSA-N
XLogP2.22
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631686
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781225
cis-[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 7952589
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969375
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564028
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2511135
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 7953816
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 3921616
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 2417027
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7404874
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 27118112
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7603952

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate (CID 18099034) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate is Cc1ccoc1C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate?
The InChIKey is NOMKSNMEUFJKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-13-6-9-24-17(13)18(22)25-12-16(21)19-14-2-4-15(5-3-14)20-7-10-23-11-8-20/h2-6,9H,7-8,10-12H2,1H3,(H,19,21).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate is sourced from PubChem (CID 18099034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).