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4-morpholin-4-yl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]cyclohexane-1-carboxamide

C19H32N2O3 — CID 167793589

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-morpholin-4-yl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCC1CC2CCC1O2)C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C19H32N2O3/c22-19(20-8-7-15-13-17-5-6-18(15)24-17)14-1-3-16(4-2-14)21-9-11-23-12-10-21/h14-18H,1-13H2,(H,20,22)
InChIKeyOOEXHCOQLXMVCV-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.95
Rot. Bonds5

About 4-morpholin-4-yl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]cyclohexane-1-carboxamide

4-morpholin-4-yl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 167793589) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID167793589
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name4-morpholin-4-yl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCC1CC2CCC1O2)C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C19H32N2O3/c22-19(20-8-7-15-13-17-5-6-18(15)24-17)14-1-3-16(4-2-14)21-9-11-23-12-10-21/h14-18H,1-13H2,(H,20,22)
InChIKeyOOEXHCOQLXMVCV-UHFFFAOYSA-N
XLogP1.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-morpholin-4-yl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]cyclohexane-1-carboxamide (CID 167793589) is 4-morpholin-4-yl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]cyclohexane-1-carboxamide is O=C(NCCC1CC2CCC1O2)C1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-morpholin-4-yl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is OOEXHCOQLXMVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c22-19(20-8-7-15-13-17-5-6-18(15)24-17)14-1-3-16(4-2-14)21-9-11-23-12-10-21/h14-18H,1-13H2,(H,20,22).
What are the key properties of 4-morpholin-4-yl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]cyclohexane-1-carboxamide?
4-morpholin-4-yl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 167793589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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