[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium

C18H21N2O2+ — CID 8810245

IUPAC[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCc1ccc(C[NH+](C)[C@H](C)C(=O)c2c[nH]c3ccccc23)o1
InChIInChI=1S/C18H20N2O2/c1-12-8-9-14(22-12)11-20(3)13(2)18(21)16-10-19-17-7-5-4-6-15(16)17/h4-10,13,19H,11H2,1-3H3/p+1/t13-/m1/s1
InChIKeyMJGHIKOEKGKBOK-CYBMUJFWSA-O
MW297.38 g/mol
LogP2.36
Rot. Bonds5

About [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium (PubChem CID 8810245) has the molecular formula C18H21N2O2+ and a molecular weight of 297.38 g/mol. Its IUPAC name is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
PubChem CID8810245
Molecular FormulaC18H21N2O2+
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCc1ccc(C[NH+](C)[C@H](C)C(=O)c2c[nH]c3ccccc23)o1
InChIInChI=1S/C18H20N2O2/c1-12-8-9-14(22-12)11-20(3)13(2)18(21)16-10-19-17-7-5-4-6-15(16)17/h4-10,13,19H,11H2,1-3H3/p+1/t13-/m1/s1
InChIKeyMJGHIKOEKGKBOK-CYBMUJFWSA-O
XLogP2.36
TPSA50.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium with MolForge

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Related Compounds

(4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium
CID 8540485
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 8804430
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8913527
[2-(2-chloroanilino)-2-oxoethyl]-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium
CID 8843041
2-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 7535659
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 9139492
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612958
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7892988
furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
CID 9325925
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone
CID 147638405
3-(1H-indol-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62524941

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium (CID 8810245) is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium.
What is the SMILES notation for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The canonical SMILES for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium is Cc1ccc(C[NH+](C)[C@H](C)C(=O)c2c[nH]c3ccccc23)o1.
What is the InChIKey of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The InChIKey is MJGHIKOEKGKBOK-CYBMUJFWSA-O. The full InChI is InChI=1S/C18H20N2O2/c1-12-8-9-14(22-12)11-20(3)13(2)18(21)16-10-19-17-7-5-4-6-15(16)17/h4-10,13,19H,11H2,1-3H3/p+1/t13-/m1/s1.
What are the key properties of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium has a molecular weight of 297.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 8810245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).