2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C18H26N2O2 — CID 99608447

IUPAC2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CN[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C18H26N2O2/c1-13-10-14-6-3-5-9-17(14)20(13)18(22)11-19-16-8-4-2-7-15(16)12-21/h3,5-6,9,13,15-16,19,21H,2,4,7-8,10-12H2,1H3/t13-,15-,16-/m1/s1
InChIKeyZCNFNEDIKOASCF-FVQBIDKESA-N
MW302.42 g/mol
LogP2.10
Rot. Bonds4

About 2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 99608447) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID99608447
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CN[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C18H26N2O2/c1-13-10-14-6-3-5-9-17(14)20(13)18(22)11-19-16-8-4-2-7-15(16)12-21/h3,5-6,9,13,15-16,19,21H,2,4,7-8,10-12H2,1H3/t13-,15-,16-/m1/s1
InChIKeyZCNFNEDIKOASCF-FVQBIDKESA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
3-(cyclopropylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 54924918
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone
CID 78912909
2-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 2531901
N-cyclopentyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113159384
4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 113001078
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8598292
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-(2-acetylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9103764
2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 109008215
3-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 113001074
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8635542

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 99608447) is 2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is C[C@@H]1Cc2ccccc2N1C(=O)CN[C@@H]1CCCC[C@@H]1CO.
What is the InChIKey of 2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is ZCNFNEDIKOASCF-FVQBIDKESA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-10-14-6-3-5-9-17(14)20(13)18(22)11-19-16-8-4-2-7-15(16)12-21/h3,5-6,9,13,15-16,19,21H,2,4,7-8,10-12H2,1H3/t13-,15-,16-/m1/s1.
What are the key properties of 2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 99608447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).