(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamate

C28H40FN3O5 — CID 71029014

IUPAC(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamate
SMILESCC1(C)CN(C2COCC2NC(=O)OC(CC2CCCCC2)C(=O)N2CCOCC2)c2ccc(F)cc21
InChIInChI=1S/C28H40FN3O5/c1-28(2)18-32(23-9-8-20(29)15-21(23)28)24-17-36-16-22(24)30-27(34)37-25(14-19-6-4-3-5-7-19)26(33)31-10-12-35-13-11-31/h8-9,15,19,22,24-25H,3-7,10-14,16-18H2,1-2H3,(H,30,34)
InChIKeyGNNXBPUUMDWVKD-UHFFFAOYSA-N
MW517.64 g/mol
LogP3.61
Rot. Bonds6

About (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamate

(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamate (PubChem CID 71029014) has the molecular formula C28H40FN3O5 and a molecular weight of 517.64 g/mol. Its IUPAC name is (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamate.

Molecular Properties

Compound Name(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamate
PubChem CID71029014
Molecular FormulaC28H40FN3O5
Molecular Weight517.64 g/mol
Exact Mass517.30
IUPAC Name(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamate
SMILESCC1(C)CN(C2COCC2NC(=O)OC(CC2CCCCC2)C(=O)N2CCOCC2)c2ccc(F)cc21
InChIInChI=1S/C28H40FN3O5/c1-28(2)18-32(23-9-8-20(29)15-21(23)28)24-17-36-16-22(24)30-27(34)37-25(14-19-6-4-3-5-7-19)26(33)31-10-12-35-13-11-31/h8-9,15,19,22,24-25H,3-7,10-14,16-18H2,1-2H3,(H,30,34)
InChIKeyGNNXBPUUMDWVKD-UHFFFAOYSA-N
XLogP3.61
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.64
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamate?
The IUPAC name of (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamate (CID 71029014) is (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamate.
What is the SMILES notation for (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamate?
The canonical SMILES for (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamate is CC1(C)CN(C2COCC2NC(=O)OC(CC2CCCCC2)C(=O)N2CCOCC2)c2ccc(F)cc21.
What is the InChIKey of (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamate?
The InChIKey is GNNXBPUUMDWVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40FN3O5/c1-28(2)18-32(23-9-8-20(29)15-21(23)28)24-17-36-16-22(24)30-27(34)37-25(14-19-6-4-3-5-7-19)26(33)31-10-12-35-13-11-31/h8-9,15,19,22,24-25H,3-7,10-14,16-18H2,1-2H3,(H,30,34).
What are the key properties of (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamate?
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamate has a molecular weight of 517.64 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamate is sourced from PubChem (CID 71029014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).