(2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

C20H24N2O — CID 8704347

IUPAC(2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)[C@H](C)N2CCc3ccccc32)c(C)c1
InChIInChI=1S/C20H24N2O/c1-13-11-14(2)19(15(3)12-13)21-20(23)16(4)22-10-9-17-7-5-6-8-18(17)22/h5-8,11-12,16H,9-10H2,1-4H3,(H,21,23)/t16-/m0/s1
InChIKeyDJLHFHHVEKBBLO-INIZCTEOSA-N
MW308.43 g/mol
LogP4.00
Rot. Bonds3

About (2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

(2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 8704347) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID8704347
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)[C@H](C)N2CCc3ccccc32)c(C)c1
InChIInChI=1S/C20H24N2O/c1-13-11-14(2)19(15(3)12-13)21-20(23)16(4)22-10-9-17-7-5-6-8-18(17)22/h5-8,11-12,16H,9-10H2,1-4H3,(H,21,23)/t16-/m0/s1
InChIKeyDJLHFHHVEKBBLO-INIZCTEOSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,3-dihydroindol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9432295
(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)propanamide
CID 8704324
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)propanamide
CID 8704291
(2R)-N-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 8704432
(2R)-N-(4-chloro-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 9432138
(2R)-N-(2,3-dichlorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 7940820
N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 16792940
(2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide
CID 9432032
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 23409730
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9432229
(2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9432096
3-(2,3-dihydroindol-1-yl)-2,2-dimethyl-3-oxo-N-(2,4,6-trimethylphenyl)propanamide
CID 108967644

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of (2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide (CID 8704347) is (2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)[C@H](C)N2CCc3ccccc32)c(C)c1.
What is the InChIKey of (2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is DJLHFHHVEKBBLO-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O/c1-13-11-14(2)19(15(3)12-13)21-20(23)16(4)22-10-9-17-7-5-6-8-18(17)22/h5-8,11-12,16H,9-10H2,1-4H3,(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 308.43 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 8704347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).