[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate

C17H19NO5 — CID 7758226

IUPAC[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)O[C@H](C)C(=O)NCc1ccco1
InChIInChI=1S/C17H19NO5/c1-3-21-15-9-5-4-8-14(15)17(20)23-12(2)16(19)18-11-13-7-6-10-22-13/h4-10,12H,3,11H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyKYLAAWAPPMYASY-GFCCVEGCSA-N
MW317.34 g/mol
LogP2.54
Rot. Bonds7

About [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate (PubChem CID 7758226) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate
PubChem CID7758226
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)O[C@H](C)C(=O)NCc1ccco1
InChIInChI=1S/C17H19NO5/c1-3-21-15-9-5-4-8-14(15)17(20)23-12(2)16(19)18-11-13-7-6-10-22-13/h4-10,12H,3,11H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyKYLAAWAPPMYASY-GFCCVEGCSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 7377262
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 7470534
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 7809499
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate
CID 30925663
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 16523862
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate
CID 8555349
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 8535095
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253753
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8651727
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 8909333
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 2563870
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 2635169

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate?
The IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate (CID 7758226) is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate.
What is the SMILES notation for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate?
The canonical SMILES for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)O[C@H](C)C(=O)NCc1ccco1.
What is the InChIKey of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate?
The InChIKey is KYLAAWAPPMYASY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19NO5/c1-3-21-15-9-5-4-8-14(15)17(20)23-12(2)16(19)18-11-13-7-6-10-22-13/h4-10,12H,3,11H2,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate?
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate has a molecular weight of 317.34 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate is sourced from PubChem (CID 7758226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).