N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide

C23H27N3O3 — CID 71731407

IUPACN-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
SMILESCN(C(=O)Cc1ccc2c(c1)NC(=O)C2)[C@H](CN1CC[C@H](O)C1)c1ccccc1
InChIInChI=1S/C23H27N3O3/c1-25(23(29)12-16-7-8-18-13-22(28)24-20(18)11-16)21(17-5-3-2-4-6-17)15-26-10-9-19(27)14-26/h2-8,11,19,21,27H,9-10,12-15H2,1H3,(H,24,28)/t19-,21+/m0/s1
InChIKeyXAVBRHQYBNDKED-PZJWPPBQSA-N
MW393.49 g/mol
LogP1.99
Rot. Bonds6

About N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide

N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide (PubChem CID 71731407) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
PubChem CID71731407
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
SMILESCN(C(=O)Cc1ccc2c(c1)NC(=O)C2)[C@H](CN1CC[C@H](O)C1)c1ccccc1
InChIInChI=1S/C23H27N3O3/c1-25(23(29)12-16-7-8-18-13-22(28)24-20(18)11-16)21(17-5-3-2-4-6-17)15-26-10-9-19(27)14-26/h2-8,11,19,21,27H,9-10,12-15H2,1H3,(H,24,28)/t19-,21+/m0/s1
InChIKeyXAVBRHQYBNDKED-PZJWPPBQSA-N
XLogP1.99
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide?
The IUPAC name of N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide (CID 71731407) is N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide.
What is the SMILES notation for N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide?
The canonical SMILES for N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide is CN(C(=O)Cc1ccc2c(c1)NC(=O)C2)[C@H](CN1CC[C@H](O)C1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide?
The InChIKey is XAVBRHQYBNDKED-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-25(23(29)12-16-7-8-18-13-22(28)24-20(18)11-16)21(17-5-3-2-4-6-17)15-26-10-9-19(27)14-26/h2-8,11,19,21,27H,9-10,12-15H2,1H3,(H,24,28)/t19-,21+/m0/s1.
What are the key properties of N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide?
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide is sourced from PubChem (CID 71731407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).