benzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate

C20H24N2O3 — CID 137333145

IUPACbenzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate
SMILESO=C(NCCN1CC(OCc2ccccc2)C1)OCc1ccccc1
InChIInChI=1S/C20H24N2O3/c23-20(25-16-18-9-5-2-6-10-18)21-11-12-22-13-19(14-22)24-15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,21,23)
InChIKeyGDVROQGVBLUYEO-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.81
Rot. Bonds8

About benzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate

benzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate (PubChem CID 137333145) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is benzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate
PubChem CID137333145
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namebenzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate
SMILESO=C(NCCN1CC(OCc2ccccc2)C1)OCc1ccccc1
InChIInChI=1S/C20H24N2O3/c23-20(25-16-18-9-5-2-6-10-18)21-11-12-22-13-19(14-22)24-15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,21,23)
InChIKeyGDVROQGVBLUYEO-UHFFFAOYSA-N
XLogP2.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate (CID 137333145) is benzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate is O=C(NCCN1CC(OCc2ccccc2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate?
The InChIKey is GDVROQGVBLUYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-20(25-16-18-9-5-2-6-10-18)21-11-12-22-13-19(14-22)24-15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,21,23).
What are the key properties of benzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate?
benzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 137333145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).