benzyl N-[2-(methoxymethoxy)ethyl]carbamate

C12H17NO4 — CID 14654468

IUPACbenzyl N-[2-(methoxymethoxy)ethyl]carbamate
SMILESCOCOCCNC(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO4/c1-15-10-16-8-7-13-12(14)17-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,14)
InChIKeyVTEZVUHFLIJPQP-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.53
Rot. Bonds7

About benzyl N-[2-(methoxymethoxy)ethyl]carbamate

benzyl N-[2-(methoxymethoxy)ethyl]carbamate (PubChem CID 14654468) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is benzyl N-[2-(methoxymethoxy)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(methoxymethoxy)ethyl]carbamate
PubChem CID14654468
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Namebenzyl N-[2-(methoxymethoxy)ethyl]carbamate
SMILESCOCOCCNC(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO4/c1-15-10-16-8-7-13-12(14)17-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,14)
InChIKeyVTEZVUHFLIJPQP-UHFFFAOYSA-N
XLogP1.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(methoxymethoxy)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(methoxymethoxy)ethyl]carbamate (CID 14654468) is benzyl N-[2-(methoxymethoxy)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(methoxymethoxy)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(methoxymethoxy)ethyl]carbamate is COCOCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(methoxymethoxy)ethyl]carbamate?
The InChIKey is VTEZVUHFLIJPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-15-10-16-8-7-13-12(14)17-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,14).
What are the key properties of benzyl N-[2-(methoxymethoxy)ethyl]carbamate?
benzyl N-[2-(methoxymethoxy)ethyl]carbamate has a molecular weight of 239.27 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(methoxymethoxy)ethyl]carbamate is sourced from PubChem (CID 14654468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).