(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

C27H40FN3O4 — CID 44565934

IUPAC(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
SMILESCC(CN1c2ccc(F)cc2CC1(C)C)NC(=O)OC(CC1CCCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C27H40FN3O4/c1-19(18-31-23-10-9-22(28)16-21(23)17-27(31,2)3)29-26(33)35-24(15-20-7-5-4-6-8-20)25(32)30-11-13-34-14-12-30/h9-10,16,19-20,24H,4-8,11-15,17-18H2,1-3H3,(H,29,33)
InChIKeyGMITXZKKLJUEMR-UHFFFAOYSA-N
MW489.63 g/mol
LogP4.28
Rot. Bonds7

About (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

(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 (PubChem CID 44565934) has the molecular formula C27H40FN3O4 and a molecular weight of 489.63 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID44565934
Molecular FormulaC27H40FN3O4
Molecular Weight489.63 g/mol
Exact Mass489.30
IUPAC Name(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
SMILESCC(CN1c2ccc(F)cc2CC1(C)C)NC(=O)OC(CC1CCCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C27H40FN3O4/c1-19(18-31-23-10-9-22(28)16-21(23)17-27(31,2)3)29-26(33)35-24(15-20-7-5-4-6-8-20)25(32)30-11-13-34-14-12-30/h9-10,16,19-20,24H,4-8,11-15,17-18H2,1-3H3,(H,29,33)
InChIKeyGMITXZKKLJUEMR-UHFFFAOYSA-N
XLogP4.28
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.63
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(CN1c2ccc(F)cc2CC1(C)C)NC(=O)OC(CC1CCCCC1)C(=O)N1CCOCC1.
What is the InChIKey of (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?
The InChIKey is GMITXZKKLJUEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40FN3O4/c1-19(18-31-23-10-9-22(28)16-21(23)17-27(31,2)3)29-26(33)35-24(15-20-7-5-4-6-8-20)25(32)30-11-13-34-14-12-30/h9-10,16,19-20,24H,4-8,11-15,17-18H2,1-3H3,(H,29,33).
What are the key properties of (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?
(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 has a molecular weight of 489.63 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 44565934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).