[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone

C20H23NO2 — CID 737594

IUPAC[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
SMILESCC(C)COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1
InChIInChI=1S/C20H23NO2/c1-14(2)13-23-18-10-8-16(9-11-18)20(22)21-15(3)12-17-6-4-5-7-19(17)21/h4-11,14-15H,12-13H2,1-3H3/t15-/m0/s1
InChIKeyHQOKLNSAGKMNMX-HNNXBMFYSA-N
MW309.41 g/mol
LogP4.31
Rot. Bonds4

About [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone

[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone (PubChem CID 737594) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
PubChem CID737594
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
SMILESCC(C)COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1
InChIInChI=1S/C20H23NO2/c1-14(2)13-23-18-10-8-16(9-11-18)20(22)21-15(3)12-17-6-4-5-7-19(17)21/h4-11,14-15H,12-13H2,1-3H3/t15-/m0/s1
InChIKeyHQOKLNSAGKMNMX-HNNXBMFYSA-N
XLogP4.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl] acetate
CID 7336980
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone
CID 28578257
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881
[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26910884
1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea
CID 71889672
[3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 1002513
N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 48845425
(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 46819959
[4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 55752569

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone?
The IUPAC name of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone (CID 737594) is [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone.
What is the SMILES notation for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone?
The canonical SMILES for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone is CC(C)COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1.
What is the InChIKey of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone?
The InChIKey is HQOKLNSAGKMNMX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14(2)13-23-18-10-8-16(9-11-18)20(22)21-15(3)12-17-6-4-5-7-19(17)21/h4-11,14-15H,12-13H2,1-3H3/t15-/m0/s1.
What are the key properties of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone?
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone has a molecular weight of 309.41 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone is sourced from PubChem (CID 737594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).