[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate

C17H19NO5 — CID 9197604

IUPAC[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)N[C@@H](C)c1ccco1
InChIInChI=1S/C17H19NO5/c1-3-21-15-8-5-4-7-13(15)17(20)23-11-16(19)18-12(2)14-9-6-10-22-14/h4-10,12H,3,11H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyASGGXSJKUJEWIS-LBPRGKRZSA-N
MW317.34 g/mol
LogP2.71
Rot. Bonds7

About [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate

[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 9197604) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
PubChem CID9197604
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)N[C@@H](C)c1ccco1
InChIInChI=1S/C17H19NO5/c1-3-21-15-8-5-4-7-13(15)17(20)23-11-16(19)18-12(2)14-9-6-10-22-14/h4-10,12H,3,11H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyASGGXSJKUJEWIS-LBPRGKRZSA-N
XLogP2.71
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 9492458
[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 43033031
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 9200472
[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-ethoxybenzoate
CID 9197483
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8644747
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197591
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 9229107
[2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2404850
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 9491487
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 9342611
2-(2-chlorophenoxy)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9011821
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 8887492

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate (CID 9197604) is [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)N[C@@H](C)c1ccco1.
What is the InChIKey of [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is ASGGXSJKUJEWIS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19NO5/c1-3-21-15-8-5-4-7-13(15)17(20)23-11-16(19)18-12(2)14-9-6-10-22-14/h4-10,12H,3,11H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate?
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate has a molecular weight of 317.34 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 9197604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).