2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide

C20H24N2O — CID 8704387

IUPAC2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)CN2CCc3ccccc32)cc1C
InChIInChI=1S/C20H24N2O/c1-14-8-9-18(12-15(14)2)16(3)21-20(23)13-22-11-10-17-6-4-5-7-19(17)22/h4-9,12,16H,10-11,13H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyNWIDQZXEDSDUSP-INIZCTEOSA-N
MW308.43 g/mol
LogP3.54
Rot. Bonds4

About 2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide

2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide (PubChem CID 8704387) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
PubChem CID8704387
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)CN2CCc3ccccc32)cc1C
InChIInChI=1S/C20H24N2O/c1-14-8-9-18(12-15(14)2)16(3)21-20(23)13-22-11-10-17-6-4-5-7-19(17)22/h4-9,12,16H,10-11,13H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyNWIDQZXEDSDUSP-INIZCTEOSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]propanoic acid
CID 82041853
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 55353735
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8704609
2-(azocan-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8583647
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688549
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 41361454
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
2-(2,3-dihydroindol-1-yl)-N-(2-methylphenyl)acetamide
CID 22199881
N-[1-(3,4-dimethylphenyl)ethyl]-2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 46631548
2-(2,3-dihydroindol-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 8704309
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810898
2-(2,3-dihydroindol-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 18084883

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide (CID 8704387) is 2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)CN2CCc3ccccc32)cc1C.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide?
The InChIKey is NWIDQZXEDSDUSP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14-8-9-18(12-15(14)2)16(3)21-20(23)13-22-11-10-17-6-4-5-7-19(17)22/h4-9,12,16H,10-11,13H2,1-3H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide?
2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide has a molecular weight of 308.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 8704387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).