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

C22H19NO5 — CID 7470534

IUPAC[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzoylbenzoate
SMILESC[C@@H](OC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C22H19NO5/c1-15(21(25)23-14-17-10-7-13-27-17)28-22(26)19-12-6-5-11-18(19)20(24)16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyCMKOHNWACAYDPA-OAHLLOKOSA-N
MW377.40 g/mol
LogP3.37
Rot. Bonds7

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

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzoylbenzoate (PubChem CID 7470534) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzoylbenzoate
PubChem CID7470534
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzoylbenzoate
SMILESC[C@@H](OC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C22H19NO5/c1-15(21(25)23-14-17-10-7-13-27-17)28-22(26)19-12-6-5-11-18(19)20(24)16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyCMKOHNWACAYDPA-OAHLLOKOSA-N
XLogP3.37
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 7809499
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 7377262
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 7758226
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate
CID 30925663
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7478024
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 8535095
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 7724166
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-propan-2-ylquinoline-4-carboxylate
CID 27803201
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8507677
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18195612
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8651727
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-methyl-3-nitrobenzoate
CID 8709908

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzoylbenzoate?
The IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzoylbenzoate (CID 7470534) is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzoylbenzoate.
What is the SMILES notation for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzoylbenzoate?
The canonical SMILES for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzoylbenzoate is C[C@@H](OC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)NCc1ccco1.
What is the InChIKey of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzoylbenzoate?
The InChIKey is CMKOHNWACAYDPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19NO5/c1-15(21(25)23-14-17-10-7-13-27-17)28-22(26)19-12-6-5-11-18(19)20(24)16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzoylbenzoate?
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzoylbenzoate has a molecular weight of 377.40 g/mol, XLogP of 3.37, 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-benzoylbenzoate is sourced from PubChem (CID 7470534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).