1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone

C24H24N2O2 — CID 2339721

IUPAC1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CNc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2/c1-18-15-20-9-5-6-10-23(20)26(18)24(27)16-25-21-11-13-22(14-12-21)28-17-19-7-3-2-4-8-19/h2-14,18,25H,15-17H2,1H3/t18-/m1/s1
InChIKeyUTMJHXIINHIKAV-GOSISDBHSA-N
MW372.47 g/mol
LogP4.66
Rot. Bonds6

About 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone

1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone (PubChem CID 2339721) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone
PubChem CID2339721
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CNc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2/c1-18-15-20-9-5-6-10-23(20)26(18)24(27)16-25-21-11-13-22(14-12-21)28-17-19-7-3-2-4-8-19/h2-14,18,25H,15-17H2,1H3/t18-/m1/s1
InChIKeyUTMJHXIINHIKAV-GOSISDBHSA-N
XLogP4.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 2127625
N-methyl-2-[4-[[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]phenyl]acetamide
CID 37224123
3-(4-ethoxyanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109039966
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone
CID 109010553
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-phenoxyanilino)ethanone
CID 2468474
methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
CID 109010122
1-(2-methyl-2,3-dihydroindol-1-yl)-3-(4-propan-2-yloxyanilino)propan-1-one
CID 109040290
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 34067089
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109011151
[3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 1002513

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone?
The IUPAC name of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone (CID 2339721) is 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone.
What is the SMILES notation for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone?
The canonical SMILES for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone is C[C@@H]1Cc2ccccc2N1C(=O)CNc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone?
The InChIKey is UTMJHXIINHIKAV-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-18-15-20-9-5-6-10-23(20)26(18)24(27)16-25-21-11-13-22(14-12-21)28-17-19-7-3-2-4-8-19/h2-14,18,25H,15-17H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone?
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone has a molecular weight of 372.47 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone is sourced from PubChem (CID 2339721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).