methyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate

C15H25NO5 — CID 114450678

IUPACmethyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OCC(=O)NC2CCOCC2)CC1
InChIInChI=1S/C15H25NO5/c1-19-15(18)11-2-4-13(5-3-11)21-10-14(17)16-12-6-8-20-9-7-12/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyKLYVRUNMVFBUTQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.03
Rot. Bonds5

About methyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate

methyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate (PubChem CID 114450678) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate
PubChem CID114450678
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Namemethyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OCC(=O)NC2CCOCC2)CC1
InChIInChI=1S/C15H25NO5/c1-19-15(18)11-2-4-13(5-3-11)21-10-14(17)16-12-6-8-20-9-7-12/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyKLYVRUNMVFBUTQ-UHFFFAOYSA-N
XLogP1.03
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminocyclopentyl)oxy-N-(oxan-4-yl)acetamide
CID 79465168
methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate
CID 112690018
methyl 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]cyclohexane-1-carboxylate
CID 114450543
2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide
CID 114119327
methyl 4-[2-(2-cyanoethylamino)-2-oxoethoxy]cyclohexane-1-carboxylate
CID 114450847
N-(oxan-4-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712370
methyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate
CID 114450564
methyl 4-prop-2-enoxycyclohexane-1-carboxylate
CID 114450554
ethyl 4-(oxan-4-ylamino)cyclohexane-1-carboxylate
CID 54866933
2-(2-methylpropylamino)-N-(oxan-4-yl)acetamide
CID 63098322
methyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate
CID 115149309
methyl 4-(hexanoylamino)cyclohexane-1-carboxylate
CID 112689997

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate (CID 114450678) is methyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate is COC(=O)C1CCC(OCC(=O)NC2CCOCC2)CC1.
What is the InChIKey of methyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate?
The InChIKey is KLYVRUNMVFBUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-19-15(18)11-2-4-13(5-3-11)21-10-14(17)16-12-6-8-20-9-7-12/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of methyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate?
methyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 114450678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).