methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate

C13H23NO4 — CID 112690018

IUPACmethyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)COC(C)C)CC1
InChIInChI=1S/C13H23NO4/c1-9(2)18-8-12(15)14-11-6-4-10(5-7-11)13(16)17-3/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyOZWJYBOTGADXHI-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.26
Rot. Bonds5

About methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate

methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate (PubChem CID 112690018) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate
PubChem CID112690018
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namemethyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)COC(C)C)CC1
InChIInChI=1S/C13H23NO4/c1-9(2)18-8-12(15)14-11-6-4-10(5-7-11)13(16)17-3/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyOZWJYBOTGADXHI-UHFFFAOYSA-N
XLogP1.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide
CID 112686677
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179
methyl 4-(hexanoylamino)cyclohexane-1-carboxylate
CID 112689997
methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate
CID 115674517
methyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate
CID 114450678
methyl 4-(carbamoylamino)cyclohexane-1-carboxylate
CID 47585856
N-(1-cyclobutylethyl)-2-propan-2-yloxyacetamide
CID 115769012
methyl 4-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylate
CID 114450672
N-cyclopropyl-2-(2-propan-2-yloxyethylamino)acetamide
CID 60697253
N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide
CID 112690099
N-[(1S)-1-cyclohexylethyl]-2-propan-2-yloxyacetamide
CID 103940569
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide
CID 112603310

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate (CID 112690018) is methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)COC(C)C)CC1.
What is the InChIKey of methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate?
The InChIKey is OZWJYBOTGADXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(2)18-8-12(15)14-11-6-4-10(5-7-11)13(16)17-3/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate?
methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 112690018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).