[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate

C23H18N2O5 — CID 8909697

IUPAC[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
SMILESC[C@@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C23H18N2O5/c1-14(21(26)18-13-24-19-6-3-2-5-17(18)19)30-23(28)15-8-10-16(11-9-15)25-22(27)20-7-4-12-29-20/h2-14,24H,1H3,(H,25,27)/t14-/m1/s1
InChIKeyKAQYYEAAGPDCFJ-CQSZACIVSA-N
MW402.41 g/mol
LogP4.44
Rot. Bonds6

About [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate (PubChem CID 8909697) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
PubChem CID8909697
Molecular FormulaC23H18N2O5
Molecular Weight402.41 g/mol
Exact Mass402.12
IUPAC Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
SMILESC[C@@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C23H18N2O5/c1-14(21(26)18-13-24-19-6-3-2-5-17(18)19)30-23(28)15-8-10-16(11-9-15)25-22(27)20-7-4-12-29-20/h2-14,24H,1H3,(H,25,27)/t14-/m1/s1
InChIKeyKAQYYEAAGPDCFJ-CQSZACIVSA-N
XLogP4.44
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate with MolForge

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Related Compounds

[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 42984081
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 40642570
propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate
CID 39964134
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 46790132
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797163
[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8909413
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8993265
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8993290
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 42901001
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 30819143
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7789907

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate (CID 8909697) is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate is C[C@@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The InChIKey is KAQYYEAAGPDCFJ-CQSZACIVSA-N. The full InChI is InChI=1S/C23H18N2O5/c1-14(21(26)18-13-24-19-6-3-2-5-17(18)19)30-23(28)15-8-10-16(11-9-15)25-22(27)20-7-4-12-29-20/h2-14,24H,1H3,(H,25,27)/t14-/m1/s1.
What are the key properties of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate has a molecular weight of 402.41 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 8909697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).