[(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone

C23H28N2O2 — CID 51593365

IUPAC[(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
SMILESC[C@H]1Cc2cc([C@@H](O)CN(C)Cc3ccccc3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C23H28N2O2/c1-16-12-20-13-19(10-11-21(20)25(16)23(27)18-8-9-18)22(26)15-24(2)14-17-6-4-3-5-7-17/h3-7,10-11,13,16,18,22,26H,8-9,12,14-15H2,1-2H3/t16-,22-/m0/s1
InChIKeyDJGIJPOUZSNHIL-AOMKIAJQSA-N
MW364.49 g/mol
LogP3.54
Rot. Bonds6

About [(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone

[(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone (PubChem CID 51593365) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is [(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
PubChem CID51593365
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name[(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
SMILESC[C@H]1Cc2cc([C@@H](O)CN(C)Cc3ccccc3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C23H28N2O2/c1-16-12-20-13-19(10-11-21(20)25(16)23(27)18-8-9-18)22(26)15-24(2)14-17-6-4-3-5-7-17/h3-7,10-11,13,16,18,22,26H,8-9,12,14-15H2,1-2H3/t16-,22-/m0/s1
InChIKeyDJGIJPOUZSNHIL-AOMKIAJQSA-N
XLogP3.54
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 82259192
(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863894
2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one
CID 82259056
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
CID 43550187
N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 7405771
4-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-1-(2-phenylethyl)piperazine-2,6-dione
CID 20901709
1-[5-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82341068
cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone
CID 20793215
1-[5-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 16676708
(1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol
CID 92857425
(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112532262
2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide
CID 92705990

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
The IUPAC name of [(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone (CID 51593365) is [(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone is C[C@H]1Cc2cc([C@@H](O)CN(C)Cc3ccccc3)ccc2N1C(=O)C1CC1.
What is the InChIKey of [(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
The InChIKey is DJGIJPOUZSNHIL-AOMKIAJQSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16-12-20-13-19(10-11-21(20)25(16)23(27)18-8-9-18)22(26)15-24(2)14-17-6-4-3-5-7-17/h3-7,10-11,13,16,18,22,26H,8-9,12,14-15H2,1-2H3/t16-,22-/m0/s1.
What are the key properties of [(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
[(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone has a molecular weight of 364.49 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 51593365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).