(2,2-dimethylmorpholin-4-yl)-[4-(2-phenylindol-1-yl)cyclohexyl]methanone

C27H32N2O2 — CID 90216730

IUPAC(2,2-dimethylmorpholin-4-yl)-[4-(2-phenylindol-1-yl)cyclohexyl]methanone
SMILESCC1(C)CN(C(=O)C2CCC(n3c(-c4ccccc4)cc4ccccc43)CC2)CCO1
InChIInChI=1S/C27H32N2O2/c1-27(2)19-28(16-17-31-27)26(30)21-12-14-23(15-13-21)29-24-11-7-6-10-22(24)18-25(29)20-8-4-3-5-9-20/h3-11,18,21,23H,12-17,19H2,1-2H3
InChIKeyNTEFJWMSSHGOMR-UHFFFAOYSA-N
MW416.56 g/mol
LogP5.68
Rot. Bonds3

About (2,2-dimethylmorpholin-4-yl)-[4-(2-phenylindol-1-yl)cyclohexyl]methanone

(2,2-dimethylmorpholin-4-yl)-[4-(2-phenylindol-1-yl)cyclohexyl]methanone (PubChem CID 90216730) has the molecular formula C27H32N2O2 and a molecular weight of 416.56 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-[4-(2-phenylindol-1-yl)cyclohexyl]methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-[4-(2-phenylindol-1-yl)cyclohexyl]methanone
PubChem CID90216730
Molecular FormulaC27H32N2O2
Molecular Weight416.56 g/mol
Exact Mass416.25
IUPAC Name(2,2-dimethylmorpholin-4-yl)-[4-(2-phenylindol-1-yl)cyclohexyl]methanone
SMILESCC1(C)CN(C(=O)C2CCC(n3c(-c4ccccc4)cc4ccccc43)CC2)CCO1
InChIInChI=1S/C27H32N2O2/c1-27(2)19-28(16-17-31-27)26(30)21-12-14-23(15-13-21)29-24-11-7-6-10-22(24)18-25(29)20-8-4-3-5-9-20/h3-11,18,21,23H,12-17,19H2,1-2H3
InChIKeyNTEFJWMSSHGOMR-UHFFFAOYSA-N
XLogP5.68
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.56
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-[4-(2-phenylindol-1-yl)cyclohexyl]methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-[4-(2-phenylindol-1-yl)cyclohexyl]methanone (CID 90216730) is (2,2-dimethylmorpholin-4-yl)-[4-(2-phenylindol-1-yl)cyclohexyl]methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-[4-(2-phenylindol-1-yl)cyclohexyl]methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-[4-(2-phenylindol-1-yl)cyclohexyl]methanone is CC1(C)CN(C(=O)C2CCC(n3c(-c4ccccc4)cc4ccccc43)CC2)CCO1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-[4-(2-phenylindol-1-yl)cyclohexyl]methanone?
The InChIKey is NTEFJWMSSHGOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-27(2)19-28(16-17-31-27)26(30)21-12-14-23(15-13-21)29-24-11-7-6-10-22(24)18-25(29)20-8-4-3-5-9-20/h3-11,18,21,23H,12-17,19H2,1-2H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-[4-(2-phenylindol-1-yl)cyclohexyl]methanone?
(2,2-dimethylmorpholin-4-yl)-[4-(2-phenylindol-1-yl)cyclohexyl]methanone has a molecular weight of 416.56 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-[4-(2-phenylindol-1-yl)cyclohexyl]methanone is sourced from PubChem (CID 90216730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).