(5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-yl-2-oxoacetate

C16H27NO4 — CID 74406171

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-yl-2-oxoacetate
SMILESCC1CCC(C(C)C)C(OC(=O)C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H27NO4/c1-11(2)13-5-4-12(3)10-14(13)21-16(19)15(18)17-6-8-20-9-7-17/h11-14H,4-10H2,1-3H3
InChIKeyDQUMXIWYFHUENX-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.85
Rot. Bonds2

About (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-yl-2-oxoacetate

(5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-yl-2-oxoacetate (PubChem CID 74406171) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-yl-2-oxoacetate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-yl-2-oxoacetate
PubChem CID74406171
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-yl-2-oxoacetate
SMILESCC1CCC(C(C)C)C(OC(=O)C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H27NO4/c1-11(2)13-5-4-12(3)10-14(13)21-16(19)15(18)17-6-8-20-9-7-17/h11-14H,4-10H2,1-3H3
InChIKeyDQUMXIWYFHUENX-UHFFFAOYSA-N
XLogP1.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2-(ethylamino)-2-oxoacetate
CID 25196074
5-Methyl-2-(1-methylethyl)cyclohexyl 2-(ethylamino)-2-oxoacetate
CID 25196076
4-Morpholineacetic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester
CID 3221411
d-Menthyl n,n-dimethyl oxamate
CID 57587060
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone
CID 132458058
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-piperidin-1-ylacetate
CID 7452184
(5-Methyl-2-propan-2-ylcyclohexyl) morpholine-4-carboxylate
CID 10015916
methyl (2R)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate
CID 18639557
methyl (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate
CID 18639568
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(ethylamino)-2-oxoacetate
CID 25196075
5-Methyl-2-(1-methylethyl)cyclohexyl 2-(dimethylamino)-2-oxoacetate
CID 25196078
(5-Methyl-2-propan-2-ylcyclohexyl) 2-(diethylamino)-2-oxoacetate
CID 25196079

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-yl-2-oxoacetate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-yl-2-oxoacetate (CID 74406171) is (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-yl-2-oxoacetate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-yl-2-oxoacetate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-yl-2-oxoacetate is CC1CCC(C(C)C)C(OC(=O)C(=O)N2CCOCC2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-yl-2-oxoacetate?
The InChIKey is DQUMXIWYFHUENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-11(2)13-5-4-12(3)10-14(13)21-16(19)15(18)17-6-8-20-9-7-17/h11-14H,4-10H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-yl-2-oxoacetate?
(5-methyl-2-propan-2-ylcyclohexyl) 2-morpholin-4-yl-2-oxoacetate has a molecular weight of 297.40 g/mol, XLogP of 1.85, 2 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-yl-2-oxoacetate is sourced from PubChem (CID 74406171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).