[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate

C25H36FN3O4 — CID 23648370

IUPAC[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate
SMILESC[C@@H](CN1CCc2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C25H36FN3O4/c1-18(17-29-10-9-20-16-21(26)7-8-22(20)29)27-25(31)33-23(15-19-5-3-2-4-6-19)24(30)28-11-13-32-14-12-28/h7-8,16,18-19,23H,2-6,9-15,17H2,1H3,(H,27,31)/t18-,23-/m0/s1
InChIKeyUHWUDNGZHRLVOI-MBSDFSHPSA-N
MW461.58 g/mol
LogP3.50
Rot. Bonds7

About [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate

[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate (PubChem CID 23648370) has the molecular formula C25H36FN3O4 and a molecular weight of 461.58 g/mol. Its IUPAC name is [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Name[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate
PubChem CID23648370
Molecular FormulaC25H36FN3O4
Molecular Weight461.58 g/mol
Exact Mass461.27
IUPAC Name[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate
SMILESC[C@@H](CN1CCc2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C25H36FN3O4/c1-18(17-29-10-9-20-16-21(26)7-8-22(20)29)27-25(31)33-23(15-19-5-3-2-4-6-19)24(30)28-11-13-32-14-12-28/h7-8,16,18-19,23H,2-6,9-15,17H2,1H3,(H,27,31)/t18-,23-/m0/s1
InChIKeyUHWUDNGZHRLVOI-MBSDFSHPSA-N
XLogP3.50
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate?
The IUPAC name of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate (CID 23648370) is [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate.
What is the SMILES notation for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate?
The canonical SMILES for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate is C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1.
What is the InChIKey of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate?
The InChIKey is UHWUDNGZHRLVOI-MBSDFSHPSA-N. The full InChI is InChI=1S/C25H36FN3O4/c1-18(17-29-10-9-20-16-21(26)7-8-22(20)29)27-25(31)33-23(15-19-5-3-2-4-6-19)24(30)28-11-13-32-14-12-28/h7-8,16,18-19,23H,2-6,9-15,17H2,1H3,(H,27,31)/t18-,23-/m0/s1.
What are the key properties of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate?
[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate has a molecular weight of 461.58 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate is sourced from PubChem (CID 23648370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).