[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium

C20H25N2O+ — CID 8517428

IUPAC[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[NH+](C)[C@H](C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H24N2O/c1-15-8-10-17(11-9-15)14-21(3)16(2)20(23)22-13-12-18-6-4-5-7-19(18)22/h4-11,16H,12-14H2,1-3H3/p+1/t16-/m1/s1
InChIKeyCVJKUVARDQTFQA-MRXNPFEDSA-O
MW309.43 g/mol
LogP1.99
Rot. Bonds4

About [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium

[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium (PubChem CID 8517428) has the molecular formula C20H25N2O+ and a molecular weight of 309.43 g/mol. Its IUPAC name is [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium
PubChem CID8517428
Molecular FormulaC20H25N2O+
Molecular Weight309.43 g/mol
Exact Mass309.20
IUPAC Name[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[NH+](C)[C@H](C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H24N2O/c1-15-8-10-17(11-9-15)14-21(3)16(2)20(23)22-13-12-18-6-4-5-7-19(18)22/h4-11,16H,12-14H2,1-3H3/p+1/t16-/m1/s1
InChIKeyCVJKUVARDQTFQA-MRXNPFEDSA-O
XLogP1.99
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium with MolForge

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Related Compounds

[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium
CID 7509381
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049765
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 7904659
2,3-dimethyl-4-oxo-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanoic acid
CID 103498667
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 16524104
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-2-(4-methylphenoxy)acetamide
CID 110348963
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 23887511
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(S)-(4-fluorophenyl)methylsulfinyl]propan-1-one
CID 95599642

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium?
The IUPAC name of [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium (CID 8517428) is [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium.
What is the SMILES notation for [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium?
The canonical SMILES for [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium is Cc1ccc(C[NH+](C)[C@H](C)C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium?
The InChIKey is CVJKUVARDQTFQA-MRXNPFEDSA-O. The full InChI is InChI=1S/C20H24N2O/c1-15-8-10-17(11-9-15)14-21(3)16(2)20(23)22-13-12-18-6-4-5-7-19(18)22/h4-11,16H,12-14H2,1-3H3/p+1/t16-/m1/s1.
What are the key properties of [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium?
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium has a molecular weight of 309.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium is sourced from PubChem (CID 8517428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).