[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate

C18H19NO4 — CID 2559719

IUPAC[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)o1
InChIInChI=1S/C18H19NO4/c1-12-9-10-16(23-12)18(21)22-11-17(20)19-15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,9-10,15H,4,6,8,11H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyCMXMOLJVHYXMAL-OAHLLOKOSA-N
MW313.35 g/mol
LogP2.94
Rot. Bonds4

About [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate

[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate (PubChem CID 2559719) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate
PubChem CID2559719
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)o1
InChIInChI=1S/C18H19NO4/c1-12-9-10-16(23-12)18(21)22-11-17(20)19-15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,9-10,15H,4,6,8,11H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyCMXMOLJVHYXMAL-OAHLLOKOSA-N
XLogP2.94
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 5-nitrofuran-2-carboxylate
CID 3291281
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-ethylbenzoate
CID 2606918
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-methoxybenzoate
CID 2510220
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-hydroxybenzoate
CID 2365675
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-hydroxy-3-methylbenzoate
CID 2578012
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-aminobenzoate
CID 7780986
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8553018
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2,6-difluorobenzoate
CID 6599915
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736604
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-propan-2-ylbenzoate
CID 2505318
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-butoxybenzoate
CID 2585306
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-(2-methylpropoxy)benzoate
CID 7210652

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate?
The IUPAC name of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate (CID 2559719) is [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate is Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)o1.
What is the InChIKey of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate?
The InChIKey is CMXMOLJVHYXMAL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12-9-10-16(23-12)18(21)22-11-17(20)19-15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,9-10,15H,4,6,8,11H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate?
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate is sourced from PubChem (CID 2559719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).