(5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-ylacetate

C16H29NO3 — CID 3221411

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-ylacetate
SMILESCC1CCC(C(C)C)C(OC(=O)CN2CCOCC2)C1
InChIInChI=1S/C16H29NO3/c1-12(2)14-5-4-13(3)10-15(14)20-16(18)11-17-6-8-19-9-7-17/h12-15H,4-11H2,1-3H3
InChIKeyMVDIUMFLTJNEIC-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.32
Rot. Bonds4

About (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-ylacetate

(5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-ylacetate (PubChem CID 3221411) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-ylacetate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-ylacetate
PubChem CID3221411
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-ylacetate
SMILESCC1CCC(C(C)C)C(OC(=O)CN2CCOCC2)C1
InChIInChI=1S/C16H29NO3/c1-12(2)14-5-4-13(3)10-15(14)20-16(18)11-17-6-8-19-9-7-17/h12-15H,4-11H2,1-3H3
InChIKeyMVDIUMFLTJNEIC-UHFFFAOYSA-N
XLogP2.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-ylacetate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-ylacetate (CID 3221411) is (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-ylacetate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-ylacetate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-ylacetate is CC1CCC(C(C)C)C(OC(=O)CN2CCOCC2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-ylacetate?
The InChIKey is MVDIUMFLTJNEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-12(2)14-5-4-13(3)10-15(14)20-16(18)11-17-6-8-19-9-7-17/h12-15H,4-11H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-ylacetate?
(5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-ylacetate has a molecular weight of 283.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-ylacetate is sourced from PubChem (CID 3221411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).