methyl N-[1-[4-[hydroxy(methoxy)methyl]-1-bicyclo[2.2.2]octanyl]ethyl]carbamate

C14H25NO4 — CID 163498618

IUPACmethyl N-[1-[4-[hydroxy(methoxy)methyl]-1-bicyclo[2.2.2]octanyl]ethyl]carbamate
SMILESCOC(=O)NC(C)C12CCC(C(O)OC)(CC1)CC2
InChIInChI=1S/C14H25NO4/c1-10(15-12(17)19-3)13-4-7-14(8-5-13,9-6-13)11(16)18-2/h10-11,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyCSVHUXQFJXIFDG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.04
Rot. Bonds4

About methyl N-[1-[4-[hydroxy(methoxy)methyl]-1-bicyclo[2.2.2]octanyl]ethyl]carbamate

methyl N-[1-[4-[hydroxy(methoxy)methyl]-1-bicyclo[2.2.2]octanyl]ethyl]carbamate (PubChem CID 163498618) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl N-[1-[4-[hydroxy(methoxy)methyl]-1-bicyclo[2.2.2]octanyl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[4-[hydroxy(methoxy)methyl]-1-bicyclo[2.2.2]octanyl]ethyl]carbamate
PubChem CID163498618
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl N-[1-[4-[hydroxy(methoxy)methyl]-1-bicyclo[2.2.2]octanyl]ethyl]carbamate
SMILESCOC(=O)NC(C)C12CCC(C(O)OC)(CC1)CC2
InChIInChI=1S/C14H25NO4/c1-10(15-12(17)19-3)13-4-7-14(8-5-13,9-6-13)11(16)18-2/h10-11,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyCSVHUXQFJXIFDG-UHFFFAOYSA-N
XLogP2.04
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[4-[hydroxy(methoxy)methyl]-1-bicyclo[2.2.2]octanyl]ethyl]carbamate?
The IUPAC name of methyl N-[1-[4-[hydroxy(methoxy)methyl]-1-bicyclo[2.2.2]octanyl]ethyl]carbamate (CID 163498618) is methyl N-[1-[4-[hydroxy(methoxy)methyl]-1-bicyclo[2.2.2]octanyl]ethyl]carbamate.
What is the SMILES notation for methyl N-[1-[4-[hydroxy(methoxy)methyl]-1-bicyclo[2.2.2]octanyl]ethyl]carbamate?
The canonical SMILES for methyl N-[1-[4-[hydroxy(methoxy)methyl]-1-bicyclo[2.2.2]octanyl]ethyl]carbamate is COC(=O)NC(C)C12CCC(C(O)OC)(CC1)CC2.
What is the InChIKey of methyl N-[1-[4-[hydroxy(methoxy)methyl]-1-bicyclo[2.2.2]octanyl]ethyl]carbamate?
The InChIKey is CSVHUXQFJXIFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(15-12(17)19-3)13-4-7-14(8-5-13,9-6-13)11(16)18-2/h10-11,16H,4-9H2,1-3H3,(H,15,17).
What are the key properties of methyl N-[1-[4-[hydroxy(methoxy)methyl]-1-bicyclo[2.2.2]octanyl]ethyl]carbamate?
methyl N-[1-[4-[hydroxy(methoxy)methyl]-1-bicyclo[2.2.2]octanyl]ethyl]carbamate has a molecular weight of 271.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[4-[hydroxy(methoxy)methyl]-1-bicyclo[2.2.2]octanyl]ethyl]carbamate is sourced from PubChem (CID 163498618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).