benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium

C24H25N2O+ — CID 9105990

IUPACbenzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C24H24N2O/c1-18(24(27)26-17-16-19-10-8-9-15-22(19)26)25-23(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-15,18,23,25H,16-17H2,1H3/p+1/t18-/m0/s1
InChIKeyCDLAFVSQMMCIFZ-SFHVURJKSA-O
MW357.48 g/mol
LogP3.32
Rot. Bonds5

About benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium

benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium (PubChem CID 9105990) has the molecular formula C24H25N2O+ and a molecular weight of 357.48 g/mol. Its IUPAC name is benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Namebenzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium
PubChem CID9105990
Molecular FormulaC24H25N2O+
Molecular Weight357.48 g/mol
Exact Mass357.20
IUPAC Namebenzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C24H24N2O/c1-18(24(27)26-17-16-19-10-8-9-15-22(19)26)25-23(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-15,18,23,25H,16-17H2,1H3/p+1/t18-/m0/s1
InChIKeyCDLAFVSQMMCIFZ-SFHVURJKSA-O
XLogP3.32
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one
CID 135054054
2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone
CID 20930646
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] benzoate
CID 2661512
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
CID 3397137
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
(2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone
CID 124605958
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
(2S)-2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 2533731

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium?
The IUPAC name of benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium (CID 9105990) is benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium?
The canonical SMILES for benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium is C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)N1CCc2ccccc21.
What is the InChIKey of benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium?
The InChIKey is CDLAFVSQMMCIFZ-SFHVURJKSA-O. The full InChI is InChI=1S/C24H24N2O/c1-18(24(27)26-17-16-19-10-8-9-15-22(19)26)25-23(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-15,18,23,25H,16-17H2,1H3/p+1/t18-/m0/s1.
What are the key properties of benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium?
benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium has a molecular weight of 357.48 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 9105990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).