1-methyl-2-(1-morpholin-4-ylcyclohexyl)cyclohexane-1-carboxamide

C18H32N2O2 — CID 67405341

IUPAC1-methyl-2-(1-morpholin-4-ylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC1(C(N)=O)CCCCC1C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C18H32N2O2/c1-17(16(19)21)8-6-3-7-15(17)18(9-4-2-5-10-18)20-11-13-22-14-12-20/h15H,2-14H2,1H3,(H2,19,21)
InChIKeyBGUYAKXYXREXJM-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.70
Rot. Bonds3

About 1-methyl-2-(1-morpholin-4-ylcyclohexyl)cyclohexane-1-carboxamide

1-methyl-2-(1-morpholin-4-ylcyclohexyl)cyclohexane-1-carboxamide (PubChem CID 67405341) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-methyl-2-(1-morpholin-4-ylcyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-2-(1-morpholin-4-ylcyclohexyl)cyclohexane-1-carboxamide
PubChem CID67405341
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name1-methyl-2-(1-morpholin-4-ylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC1(C(N)=O)CCCCC1C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C18H32N2O2/c1-17(16(19)21)8-6-3-7-15(17)18(9-4-2-5-10-18)20-11-13-22-14-12-20/h15H,2-14H2,1H3,(H2,19,21)
InChIKeyBGUYAKXYXREXJM-UHFFFAOYSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-morpholin-4-ylcyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-2-(1-morpholin-4-ylcyclohexyl)cyclohexane-1-carboxamide (CID 67405341) is 1-methyl-2-(1-morpholin-4-ylcyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-2-(1-morpholin-4-ylcyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-2-(1-morpholin-4-ylcyclohexyl)cyclohexane-1-carboxamide is CC1(C(N)=O)CCCCC1C1(N2CCOCC2)CCCCC1.
What is the InChIKey of 1-methyl-2-(1-morpholin-4-ylcyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is BGUYAKXYXREXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-17(16(19)21)8-6-3-7-15(17)18(9-4-2-5-10-18)20-11-13-22-14-12-20/h15H,2-14H2,1H3,(H2,19,21).
What are the key properties of 1-methyl-2-(1-morpholin-4-ylcyclohexyl)cyclohexane-1-carboxamide?
1-methyl-2-(1-morpholin-4-ylcyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 308.47 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-morpholin-4-ylcyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 67405341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).