2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

C19H22N2O — CID 55351280

IUPAC2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCc1cccc(NC(C)C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C19H22N2O/c1-13-7-6-9-17(11-13)20-15(3)19(22)21-14(2)12-16-8-4-5-10-18(16)21/h4-11,14-15,20H,12H2,1-3H3
InChIKeyRVSJRYANJLYPHD-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.77
Rot. Bonds3

About 2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 55351280) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID55351280
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCc1cccc(NC(C)C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C19H22N2O/c1-13-7-6-9-17(11-13)20-15(3)19(22)21-14(2)12-16-8-4-5-10-18(16)21/h4-11,14-15,20H,12H2,1-3H3
InChIKeyRVSJRYANJLYPHD-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one
CID 32786814
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2462085
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 31010331
3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide
CID 43049982
2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide
CID 19686679
(2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 37303795
methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 95171946
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
(2R)-2-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 79011425
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide
CID 30935060
[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] (E)-3-(3-methylphenyl)prop-2-enoate
CID 7882804

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 55351280) is 2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is Cc1cccc(NC(C)C(=O)N2c3ccccc3CC2C)c1.
What is the InChIKey of 2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is RVSJRYANJLYPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13-7-6-9-17(11-13)20-15(3)19(22)21-14(2)12-16-8-4-5-10-18(16)21/h4-11,14-15,20H,12H2,1-3H3.
What are the key properties of 2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 294.40 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 55351280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).