2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide

C18H20N2O — CID 2652852

IUPAC2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2c3ccccc3C[C@@H]2C)c1
InChIInChI=1S/C18H20N2O/c1-13-6-5-8-16(10-13)19-18(21)12-20-14(2)11-15-7-3-4-9-17(15)20/h3-10,14H,11-12H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyUTCIGTDFHDCSAW-AWEZNQCLSA-N
MW280.37 g/mol
LogP3.38
Rot. Bonds3

About 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide

2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 2652852) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID2652852
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2c3ccccc3C[C@@H]2C)c1
InChIInChI=1S/C18H20N2O/c1-13-6-5-8-16(10-13)19-18(21)12-20-14(2)11-15-7-3-4-9-17(15)20/h3-10,14H,11-12H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyUTCIGTDFHDCSAW-AWEZNQCLSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 82032292
N-(3-chloro-4-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 109008682
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 51159788
4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 4818217
2-(2-methyl-2,3-dihydroindol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46657873
N-(2,6-diethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22199993
N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2161891
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-N-naphthalen-1-ylacetamide
CID 25357225
2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide
CID 53121697
N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2401395
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109009436
N-[4-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2484554

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide (CID 2652852) is 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2c3ccccc3C[C@@H]2C)c1.
What is the InChIKey of 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is UTCIGTDFHDCSAW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-6-5-8-16(10-13)19-18(21)12-20-14(2)11-15-7-3-4-9-17(15)20/h3-10,14H,11-12H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide?
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 2652852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).