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

C22H34FN3O3 — CID 11640110

IUPAC[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-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](CN1CCOCC1)C(C)(C)C
InChIInChI=1S/C22H34FN3O3/c1-16(14-26-8-7-17-13-18(23)5-6-19(17)26)24-21(27)29-20(22(2,3)4)15-25-9-11-28-12-10-25/h5-6,13,16,20H,7-12,14-15H2,1-4H3,(H,24,27)/t16-,20+/m0/s1
InChIKeyBCFAXMPIDQLPGN-OXJNMPFZSA-N
MW407.53 g/mol
LogP3.05
Rot. Bonds6

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

[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate (PubChem CID 11640110) has the molecular formula C22H34FN3O3 and a molecular weight of 407.53 g/mol. Its IUPAC name is [(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Name[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate
PubChem CID11640110
Molecular FormulaC22H34FN3O3
Molecular Weight407.53 g/mol
Exact Mass407.26
IUPAC Name[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-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](CN1CCOCC1)C(C)(C)C
InChIInChI=1S/C22H34FN3O3/c1-16(14-26-8-7-17-13-18(23)5-6-19(17)26)24-21(27)29-20(22(2,3)4)15-25-9-11-28-12-10-25/h5-6,13,16,20H,7-12,14-15H2,1-4H3,(H,24,27)/t16-,20+/m0/s1
InChIKeyBCFAXMPIDQLPGN-OXJNMPFZSA-N
XLogP3.05
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate?
The IUPAC name of [(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate (CID 11640110) is [(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate.
What is the SMILES notation for [(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate?
The canonical SMILES for [(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-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](CN1CCOCC1)C(C)(C)C.
What is the InChIKey of [(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate?
The InChIKey is BCFAXMPIDQLPGN-OXJNMPFZSA-N. The full InChI is InChI=1S/C22H34FN3O3/c1-16(14-26-8-7-17-13-18(23)5-6-19(17)26)24-21(27)29-20(22(2,3)4)15-25-9-11-28-12-10-25/h5-6,13,16,20H,7-12,14-15H2,1-4H3,(H,24,27)/t16-,20+/m0/s1.
What are the key properties of [(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate?
[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate has a molecular weight of 407.53 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate is sourced from PubChem (CID 11640110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).