methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate

C14H25NO4 — CID 22080602

IUPACmethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NCC(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C14H25NO4/c1-13(2,3)19-11(16)10-15-14(12(17)18-4)8-6-5-7-9-14/h15H,5-10H2,1-4H3
InChIKeyUXNLXYLRJJULTN-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.79
Rot. Bonds4

About methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate

methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate (PubChem CID 22080602) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate
PubChem CID22080602
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NCC(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C14H25NO4/c1-13(2,3)19-11(16)10-15-14(12(17)18-4)8-6-5-7-9-14/h15H,5-10H2,1-4H3
InChIKeyUXNLXYLRJJULTN-UHFFFAOYSA-N
XLogP1.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylate
CID 59614777
methyl 1-(ethylamino)cyclododecane-1-carboxylate
CID 60788037
methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate
CID 62367369
tert-butyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclohexane-1-carboxylate
CID 171057016
1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 114987731
methyl 1-[(2-methylpropan-2-yl)oxymethylamino]cyclopropane-1-carboxylate
CID 123260165
methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]acetate
CID 118461025
tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate
CID 143355257
methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate
CID 134367700
methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate
CID 136574717
3-methoxycarbonyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]piperidine-1-carboxylic acid
CID 122604946
tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate
CID 174499135

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate (CID 22080602) is methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NCC(=O)OC(C)(C)C)CCCCC1.
What is the InChIKey of methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate?
The InChIKey is UXNLXYLRJJULTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-13(2,3)19-11(16)10-15-14(12(17)18-4)8-6-5-7-9-14/h15H,5-10H2,1-4H3.
What are the key properties of methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 22080602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).