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

C25H37FN4O3 — CID 23648409

IUPACN-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESC[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
InChIInChI=1S/C25H37FN4O3/c1-18(17-30-10-9-20-16-21(26)7-8-23(20)30)27-24(31)22(15-19-5-3-2-4-6-19)28-25(32)29-11-13-33-14-12-29/h7-8,16,18-19,22H,2-6,9-15,17H2,1H3,(H,27,31)(H,28,32)/t18-,22-/m0/s1
InChIKeyWMOMSFMNBOGEPA-AVRDEDQJSA-N
MW460.59 g/mol
LogP3.07
Rot. Bonds7

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

N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 23648409) has the molecular formula C25H37FN4O3 and a molecular weight of 460.59 g/mol. Its IUPAC name is N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID23648409
Molecular FormulaC25H37FN4O3
Molecular Weight460.59 g/mol
Exact Mass460.28
IUPAC NameN-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESC[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
InChIInChI=1S/C25H37FN4O3/c1-18(17-30-10-9-20-16-21(26)7-8-23(20)30)27-24(31)22(15-19-5-3-2-4-6-19)28-25(32)29-11-13-33-14-12-29/h7-8,16,18-19,22H,2-6,9-15,17H2,1H3,(H,27,31)(H,28,32)/t18-,22-/m0/s1
InChIKeyWMOMSFMNBOGEPA-AVRDEDQJSA-N
XLogP3.07
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide with MolForge

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Related Compounds

(2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2-yl N-[(2S)-1-(5-fluoro-2,2-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]carbamate
CID 23648378
(2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]-2-(morpholin-4-ylcarbonylamino)propanamide
CID 23648411
(2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2-yl N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl)propan-2-yl]carbamate
CID 23648370
(2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-2,2-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]-2-(morpholin-4-ylcarbonylamino)propanamide
CID 23648410
N-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 4918562
(2R)-2-(cyclohexylmethyl)-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 11259697
N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 11270795
N-((2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-morpholinoethyl)-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 11553971
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(5-fluoro-2,2-dimethyl-3H-indol-1-yl)propan-2-yl]carbamate
CID 44565934
racemic trans-N-((S)-1-(4-(6-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propan-2-yl)-2-phenylcyclopropanecarboxamide
CID 44573191
N-cyclohexyl-2-(3-fluoro-N-(2-morpholin-4-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 68057395
US9133168, Example 17c
CID 76528812

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 23648409) is N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide is C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is WMOMSFMNBOGEPA-AVRDEDQJSA-N. The full InChI is InChI=1S/C25H37FN4O3/c1-18(17-30-10-9-20-16-21(26)7-8-23(20)30)27-24(31)22(15-19-5-3-2-4-6-19)28-25(32)29-11-13-33-14-12-29/h7-8,16,18-19,22H,2-6,9-15,17H2,1H3,(H,27,31)(H,28,32)/t18-,22-/m0/s1.
What are the key properties of N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 460.59 g/mol, XLogP of 3.07, 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-[[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 23648409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).