N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide

C24H35FN4O3 — CID 11270795

IUPACN-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESO=C(NCCN1CCc2cc(F)ccc21)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
InChIInChI=1S/C24H35FN4O3/c25-20-6-7-22-19(17-20)8-10-28(22)11-9-26-23(30)21(16-18-4-2-1-3-5-18)27-24(31)29-12-14-32-15-13-29/h6-7,17-18,21H,1-5,8-16H2,(H,26,30)(H,27,31)/t21-/m0/s1
InChIKeyLICKPXBTGHXYRW-NRFANRHFSA-N
MW446.57 g/mol
LogP2.69
Rot. Bonds7

About N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide

N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 11270795) has the molecular formula C24H35FN4O3 and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID11270795
Molecular FormulaC24H35FN4O3
Molecular Weight446.57 g/mol
Exact Mass446.27
IUPAC NameN-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESO=C(NCCN1CCc2cc(F)ccc21)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
InChIInChI=1S/C24H35FN4O3/c25-20-6-7-22-19(17-20)8-10-28(22)11-9-26-23(30)21(16-18-4-2-1-3-5-18)27-24(31)29-12-14-32-15-13-29/h6-7,17-18,21H,1-5,8-16H2,(H,26,30)(H,27,31)/t21-/m0/s1
InChIKeyLICKPXBTGHXYRW-NRFANRHFSA-N
XLogP2.69
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 11270795) is N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide is O=C(NCCN1CCc2cc(F)ccc21)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is LICKPXBTGHXYRW-NRFANRHFSA-N. The full InChI is InChI=1S/C24H35FN4O3/c25-20-6-7-22-19(17-20)8-10-28(22)11-9-26-23(30)21(16-18-4-2-1-3-5-18)27-24(31)29-12-14-32-15-13-29/h6-7,17-18,21H,1-5,8-16H2,(H,26,30)(H,27,31)/t21-/m0/s1.
What are the key properties of N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 446.57 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 11270795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).