(3,4-dimethylcyclohexyl) 2-morpholin-2-ylacetate

C14H25NO3 — CID 66434046

IUPAC(3,4-dimethylcyclohexyl) 2-morpholin-2-ylacetate
SMILESCC1CCC(OC(=O)CC2CNCCO2)CC1C
InChIInChI=1S/C14H25NO3/c1-10-3-4-12(7-11(10)2)18-14(16)8-13-9-15-5-6-17-13/h10-13,15H,3-9H2,1-2H3
InChIKeyJESOJCXZLZYTBA-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.73
Rot. Bonds3

About (3,4-dimethylcyclohexyl) 2-morpholin-2-ylacetate

(3,4-dimethylcyclohexyl) 2-morpholin-2-ylacetate (PubChem CID 66434046) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl) 2-morpholin-2-ylacetate.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl) 2-morpholin-2-ylacetate
PubChem CID66434046
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(3,4-dimethylcyclohexyl) 2-morpholin-2-ylacetate
SMILESCC1CCC(OC(=O)CC2CNCCO2)CC1C
InChIInChI=1S/C14H25NO3/c1-10-3-4-12(7-11(10)2)18-14(16)8-13-9-15-5-6-17-13/h10-13,15H,3-9H2,1-2H3
InChIKeyJESOJCXZLZYTBA-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethylcyclohexyl) 2-morpholin-2-ylacetate
CID 66433853
cyclopropylmethyl 2-morpholin-2-ylacetate
CID 66434430
3-methyl-1-morpholin-2-ylbutan-2-one
CID 116586136
butyl 2-morpholin-2-ylacetate
CID 66434235
1-ethoxypropan-2-yl 2-morpholin-2-ylacetate
CID 103488968
1-morpholin-2-ylbutan-2-one
CID 116586154
N,N-diethyl-2-morpholin-2-ylacetamide
CID 66435692
N-methyl-2-morpholin-2-yl-N-propan-2-ylacetamide
CID 66434341
3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid
CID 107068760
ethyl 3-[(2S)-morpholin-2-yl]propanoate
CID 118409650
(3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80518802
2-morpholin-2-yl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114593052

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl) 2-morpholin-2-ylacetate?
The IUPAC name of (3,4-dimethylcyclohexyl) 2-morpholin-2-ylacetate (CID 66434046) is (3,4-dimethylcyclohexyl) 2-morpholin-2-ylacetate.
What is the SMILES notation for (3,4-dimethylcyclohexyl) 2-morpholin-2-ylacetate?
The canonical SMILES for (3,4-dimethylcyclohexyl) 2-morpholin-2-ylacetate is CC1CCC(OC(=O)CC2CNCCO2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl) 2-morpholin-2-ylacetate?
The InChIKey is JESOJCXZLZYTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-3-4-12(7-11(10)2)18-14(16)8-13-9-15-5-6-17-13/h10-13,15H,3-9H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl) 2-morpholin-2-ylacetate?
(3,4-dimethylcyclohexyl) 2-morpholin-2-ylacetate has a molecular weight of 255.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl) 2-morpholin-2-ylacetate is sourced from PubChem (CID 66434046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).