(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone

C20H23NO — CID 42065881

IUPAC(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23NO/c1-14-13-16-7-5-6-8-18(16)21(14)19(22)15-9-11-17(12-10-15)20(2,3)4/h5-12,14H,13H2,1-4H3/t14-/m1/s1
InChIKeyLZZPLOWCNRORQF-CQSZACIVSA-N
MW293.41 g/mol
LogP4.58
Rot. Bonds1

About (4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone

(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 42065881) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
PubChem CID42065881
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23NO/c1-14-13-16-7-5-6-8-18(16)21(14)19(22)15-9-11-17(12-10-15)20(2,3)4/h5-12,14H,13H2,1-4H3/t14-/m1/s1
InChIKeyLZZPLOWCNRORQF-CQSZACIVSA-N
XLogP4.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 48845425
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl] acetate
CID 7336980
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26910884
5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 43083133
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 92533173
N-(4-tert-butylphenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108968686
[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 1224559
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93238246
(2-methyl-2,3-dihydroindol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 3449994

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone (CID 42065881) is (4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone is C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is LZZPLOWCNRORQF-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23NO/c1-14-13-16-7-5-6-8-18(16)21(14)19(22)15-9-11-17(12-10-15)20(2,3)4/h5-12,14H,13H2,1-4H3/t14-/m1/s1.
What are the key properties of (4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 293.41 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 42065881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).