ethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine

C124H162N12O12 — CID 158720330

IUPACethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine
SMILESCC.CC(C)C1CCC(C(=O)N2CCOCC2)CC1.CC(C)C1CCCN(C(=O)c2ccccc2)C1.CC(C)c1cc(OC2CCOCC2)ccn1.CC(C)c1ccc(Oc2cccnc2)cc1.CC(C)c1ccc(Oc2cccnn2)cc1.CC(C)c1ccc(Oc2ccncc2)cc1.CC(C)c1ccc(Oc2ccncn2)cc1.CC(C)c1ccc(Oc2ccnnc2)cc1.CC(C)c1ccnc(OC2CCOCC2)c1
InChIInChI=1S/C15H21NO.C14H25NO2.2C14H15NO.3C13H14N2O.2C13H19NO2.C2H6/c1-12(2)14-9-6-10-16(11-14)15(17)13-7-4-3-5-8-13;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-11(2)12-3-5-13(6-4-12)16-14-7-9-15-10-8-14;1-11(2)12-5-7-13(8-6-12)16-14-4-3-9-15-10-14;1-10(2)11-3-5-12(6-4-11)16-13-7-8-14-9-15-13;1-10(2)11-3-5-12(6-4-11)16-13-7-8-14-15-9-13;1-10(2)11-5-7-12(8-6-11)16-13-4-3-9-14-15-13;1-10(2)13-9-12(3-6-14-13)16-11-4-7-15-8-5-11;1-10(2)11-3-6-14-13(9-11)16-12-4-7-15-8-5-12;1-2/h3-5,7-8,12,14H,6,9-11H2,1-2H3;11-13H,3-10H2,1-2H3;2*3-11H,1-2H3;3*3-10H,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;3,6,9-10,12H,4-5,7-8H2,1-2H3;1-2H3
InChIKeyIJVKERFZYMIUDU-UHFFFAOYSA-N
MW2012.73 g/mol
LogP30.23
Rot. Bonds25

About ethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine

ethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine (PubChem CID 158720330) has the molecular formula C124H162N12O12 and a molecular weight of 2012.73 g/mol. Its IUPAC name is ethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine.

Molecular Properties

Compound Nameethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine
PubChem CID158720330
Molecular FormulaC124H162N12O12
Molecular Weight2012.73 g/mol
Exact Mass2011.24
IUPAC Nameethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine
SMILESCC.CC(C)C1CCC(C(=O)N2CCOCC2)CC1.CC(C)C1CCCN(C(=O)c2ccccc2)C1.CC(C)c1cc(OC2CCOCC2)ccn1.CC(C)c1ccc(Oc2cccnc2)cc1.CC(C)c1ccc(Oc2cccnn2)cc1.CC(C)c1ccc(Oc2ccncc2)cc1.CC(C)c1ccc(Oc2ccncn2)cc1.CC(C)c1ccc(Oc2ccnnc2)cc1.CC(C)c1ccnc(OC2CCOCC2)c1
InChIInChI=1S/C15H21NO.C14H25NO2.2C14H15NO.3C13H14N2O.2C13H19NO2.C2H6/c1-12(2)14-9-6-10-16(11-14)15(17)13-7-4-3-5-8-13;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-11(2)12-3-5-13(6-4-12)16-14-7-9-15-10-8-14;1-11(2)12-5-7-13(8-6-12)16-14-4-3-9-15-10-14;1-10(2)11-3-5-12(6-4-11)16-13-7-8-14-9-15-13;1-10(2)11-3-5-12(6-4-11)16-13-7-8-14-15-9-13;1-10(2)11-5-7-12(8-6-11)16-13-4-3-9-14-15-13;1-10(2)13-9-12(3-6-14-13)16-11-4-7-15-8-5-11;1-10(2)11-3-6-14-13(9-11)16-12-4-7-15-8-5-12;1-2/h3-5,7-8,12,14H,6,9-11H2,1-2H3;11-13H,3-10H2,1-2H3;2*3-11H,1-2H3;3*3-10H,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;3,6,9-10,12H,4-5,7-8H2,1-2H3;1-2H3
InChIKeyIJVKERFZYMIUDU-UHFFFAOYSA-N
XLogP30.23
TPSA261.82 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002012.73
LogP ≤ 530.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze ethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine?
The IUPAC name of ethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine (CID 158720330) is ethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine.
What is the SMILES notation for ethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine?
The canonical SMILES for ethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine is CC.CC(C)C1CCC(C(=O)N2CCOCC2)CC1.CC(C)C1CCCN(C(=O)c2ccccc2)C1.CC(C)c1cc(OC2CCOCC2)ccn1.CC(C)c1ccc(Oc2cccnc2)cc1.CC(C)c1ccc(Oc2cccnn2)cc1.CC(C)c1ccc(Oc2ccncc2)cc1.CC(C)c1ccc(Oc2ccncn2)cc1.CC(C)c1ccc(Oc2ccnnc2)cc1.CC(C)c1ccnc(OC2CCOCC2)c1.
What is the InChIKey of ethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine?
The InChIKey is IJVKERFZYMIUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C14H25NO2.2C14H15NO.3C13H14N2O.2C13H19NO2.C2H6/c1-12(2)14-9-6-10-16(11-14)15(17)13-7-4-3-5-8-13;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-11(2)12-3-5-13(6-4-12)16-14-7-9-15-10-8-14;1-11(2)12-5-7-13(8-6-12)16-14-4-3-9-15-10-14;1-10(2)11-3-5-12(6-4-11)16-13-7-8-14-9-15-13;1-10(2)11-3-5-12(6-4-11)16-13-7-8-14-15-9-13;1-10(2)11-5-7-12(8-6-11)16-13-4-3-9-14-15-13;1-10(2)13-9-12(3-6-14-13)16-11-4-7-15-8-5-11;1-10(2)11-3-6-14-13(9-11)16-12-4-7-15-8-5-12;1-2/h3-5,7-8,12,14H,6,9-11H2,1-2H3;11-13H,3-10H2,1-2H3;2*3-11H,1-2H3;3*3-10H,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;3,6,9-10,12H,4-5,7-8H2,1-2H3;1-2H3.
What are the key properties of ethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine?
ethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine has a molecular weight of 2012.73 g/mol, XLogP of 30.23, 25 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine is sourced from PubChem (CID 158720330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).