methyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate

C15H27NO4 — CID 114450543

IUPACmethyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate
SMILESCCCC(C)NC(=O)COC1CCC(C(=O)OC)CC1
InChIInChI=1S/C15H27NO4/c1-4-5-11(2)16-14(17)10-20-13-8-6-12(7-9-13)15(18)19-3/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyNQZPPOUUINXSNU-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.04
Rot. Bonds7

About methyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate

methyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate (PubChem CID 114450543) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate
PubChem CID114450543
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate
SMILESCCCC(C)NC(=O)COC1CCC(C(=O)OC)CC1
InChIInChI=1S/C15H27NO4/c1-4-5-11(2)16-14(17)10-20-13-8-6-12(7-9-13)15(18)19-3/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyNQZPPOUUINXSNU-UHFFFAOYSA-N
XLogP2.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate with MolForge

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Related Compounds

[2-(Butylamino)-1-cyclohexyl-2-oxoethyl] acetate
CID 134856681
Methyl 4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]cyclohexane-1-carboxylate
CID 114450656
4-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethoxy]cyclohexane-1-carboxylic acid
CID 114451093
methyl (2S)-2-[(4-butoxycyclohexanecarbonyl)amino]propanoate
CID 54158472
methyl 4-[[(2S,4S)-4-[2-(dimethylamino)-2-oxoethoxy]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
CID 58778456
methyl 4-[(2S)-2-(methylamino)propoxy]cyclohexane-1-carboxylate
CID 58778948
methyl (2R)-2-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]acetate
CID 59096117
methyl (2R)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate
CID 59096125
methyl (2S)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate
CID 59096126
methyl 4-[(2S)-2-(methylamino)propoxy]cyclohexane-1-carboxylate;hydrochloride
CID 67406175
ethyl (1S,3R,4R)-4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 68151009
Ethyl 4-[2-(cyclopentylamino)-2-oxoacetyl]oxycyclohexane-1-carboxylate
CID 138616888

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate (CID 114450543) is methyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate is CCCC(C)NC(=O)COC1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate?
The InChIKey is NQZPPOUUINXSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-4-5-11(2)16-14(17)10-20-13-8-6-12(7-9-13)15(18)19-3/h11-13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of methyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate?
methyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 114450543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).