benzyl N-[2-(6-methoxyoxan-2-yl)ethyl]carbamate

C16H23NO4 — CID 85232064

IUPACbenzyl N-[2-(6-methoxyoxan-2-yl)ethyl]carbamate
SMILESCOC1CCCC(CCNC(=O)OCc2ccccc2)O1
InChIInChI=1S/C16H23NO4/c1-19-15-9-5-8-14(21-15)10-11-17-16(18)20-12-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3,(H,17,18)
InChIKeyGHFIBSVSNMYBRO-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.84
Rot. Bonds6

About benzyl N-[2-(6-methoxyoxan-2-yl)ethyl]carbamate

benzyl N-[2-(6-methoxyoxan-2-yl)ethyl]carbamate (PubChem CID 85232064) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is benzyl N-[2-(6-methoxyoxan-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(6-methoxyoxan-2-yl)ethyl]carbamate
PubChem CID85232064
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namebenzyl N-[2-(6-methoxyoxan-2-yl)ethyl]carbamate
SMILESCOC1CCCC(CCNC(=O)OCc2ccccc2)O1
InChIInChI=1S/C16H23NO4/c1-19-15-9-5-8-14(21-15)10-11-17-16(18)20-12-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3,(H,17,18)
InChIKeyGHFIBSVSNMYBRO-UHFFFAOYSA-N
XLogP2.84
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(6-methoxyoxan-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(6-methoxyoxan-2-yl)ethyl]carbamate (CID 85232064) is benzyl N-[2-(6-methoxyoxan-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(6-methoxyoxan-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(6-methoxyoxan-2-yl)ethyl]carbamate is COC1CCCC(CCNC(=O)OCc2ccccc2)O1.
What is the InChIKey of benzyl N-[2-(6-methoxyoxan-2-yl)ethyl]carbamate?
The InChIKey is GHFIBSVSNMYBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-15-9-5-8-14(21-15)10-11-17-16(18)20-12-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3,(H,17,18).
What are the key properties of benzyl N-[2-(6-methoxyoxan-2-yl)ethyl]carbamate?
benzyl N-[2-(6-methoxyoxan-2-yl)ethyl]carbamate has a molecular weight of 293.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(6-methoxyoxan-2-yl)ethyl]carbamate is sourced from PubChem (CID 85232064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).