[4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate

C17H31NO3 — CID 78831240

IUPAC[4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate
SMILESCC(C)CN1CCOC(COC(=O)CC2CCCCC2)C1
InChIInChI=1S/C17H31NO3/c1-14(2)11-18-8-9-20-16(12-18)13-21-17(19)10-15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3
InChIKeyIUEGUMCWTMWRAI-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.86
Rot. Bonds6

About [4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate

[4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate (PubChem CID 78831240) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is [4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate.

Molecular Properties

Compound Name[4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate
PubChem CID78831240
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name[4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate
SMILESCC(C)CN1CCOC(COC(=O)CC2CCCCC2)C1
InChIInChI=1S/C17H31NO3/c1-14(2)11-18-8-9-20-16(12-18)13-21-17(19)10-15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3
InChIKeyIUEGUMCWTMWRAI-UHFFFAOYSA-N
XLogP2.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate
CID 78832861
(2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid
CID 104875585
oxan-2-ylmethyl 2-cyclopentylacetate
CID 78788812
[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl (2R)-1-butanoylpyrrolidine-2-carboxylate
CID 95344412
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate
CID 78831866
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate
CID 78831870
1-(cyclohexylmethyl)-1-cyclopropyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 55912395
2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide
CID 111369787
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
(2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine
CID 167191290
[4-(2-methylpropyl)morpholin-2-yl]methyl 4,5-dichloro-1H-pyrrole-2-carboxylate
CID 78846665
ethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate
CID 60687522

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate?
The IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate (CID 78831240) is [4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate.
What is the SMILES notation for [4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate?
The canonical SMILES for [4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate is CC(C)CN1CCOC(COC(=O)CC2CCCCC2)C1.
What is the InChIKey of [4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate?
The InChIKey is IUEGUMCWTMWRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-14(2)11-18-8-9-20-16(12-18)13-21-17(19)10-15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate?
[4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate has a molecular weight of 297.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate is sourced from PubChem (CID 78831240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).