(4-tert-butylcyclohexyl) 2-morpholin-4-ylacetate

C16H29NO3 — CID 950349

IUPAC(4-tert-butylcyclohexyl) 2-morpholin-4-ylacetate
SMILESCC(C)(C)C1CCC(OC(=O)CN2CCOCC2)CC1
InChIInChI=1S/C16H29NO3/c1-16(2,3)13-4-6-14(7-5-13)20-15(18)12-17-8-10-19-11-9-17/h13-14H,4-12H2,1-3H3
InChIKeyIALSTWBLHGSVBW-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.47
Rot. Bonds3

About (4-tert-butylcyclohexyl) 2-morpholin-4-ylacetate

(4-tert-butylcyclohexyl) 2-morpholin-4-ylacetate (PubChem CID 950349) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl) 2-morpholin-4-ylacetate.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl) 2-morpholin-4-ylacetate
PubChem CID950349
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name(4-tert-butylcyclohexyl) 2-morpholin-4-ylacetate
SMILESCC(C)(C)C1CCC(OC(=O)CN2CCOCC2)CC1
InChIInChI=1S/C16H29NO3/c1-16(2,3)13-4-6-14(7-5-13)20-15(18)12-17-8-10-19-11-9-17/h13-14H,4-12H2,1-3H3
InChIKeyIALSTWBLHGSVBW-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl) 2-morpholin-4-ylacetate?
The IUPAC name of (4-tert-butylcyclohexyl) 2-morpholin-4-ylacetate (CID 950349) is (4-tert-butylcyclohexyl) 2-morpholin-4-ylacetate.
What is the SMILES notation for (4-tert-butylcyclohexyl) 2-morpholin-4-ylacetate?
The canonical SMILES for (4-tert-butylcyclohexyl) 2-morpholin-4-ylacetate is CC(C)(C)C1CCC(OC(=O)CN2CCOCC2)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl) 2-morpholin-4-ylacetate?
The InChIKey is IALSTWBLHGSVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-16(2,3)13-4-6-14(7-5-13)20-15(18)12-17-8-10-19-11-9-17/h13-14H,4-12H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexyl) 2-morpholin-4-ylacetate?
(4-tert-butylcyclohexyl) 2-morpholin-4-ylacetate has a molecular weight of 283.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl) 2-morpholin-4-ylacetate is sourced from PubChem (CID 950349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).