benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane

C20H25NO3 — CID 143474656

IUPACbenzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
SMILESCC.O=C(OCc1ccccc1)N1CC(OCc2ccccc2)C1
InChIInChI=1S/C18H19NO3.C2H6/c20-18(22-14-16-9-5-2-6-10-16)19-11-17(12-19)21-13-15-7-3-1-4-8-15;1-2/h1-10,17H,11-14H2;1-2H3
InChIKeyZSSIQMRYKIKGOY-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.25
Rot. Bonds5

About benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane

benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane (PubChem CID 143474656) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane.

Molecular Properties

Compound Namebenzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
PubChem CID143474656
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Namebenzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
SMILESCC.O=C(OCc1ccccc1)N1CC(OCc2ccccc2)C1
InChIInChI=1S/C18H19NO3.C2H6/c20-18(22-14-16-9-5-2-6-10-16)19-11-17(12-19)21-13-15-7-3-1-4-8-15;1-2/h1-10,17H,11-14H2;1-2H3
InChIKeyZSSIQMRYKIKGOY-UHFFFAOYSA-N
XLogP4.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 3-(bromomethyl)azetidine-1-carboxylate
CID 175662964
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
benzyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 46939493
benzyl 3-(trifluoromethylsulfonyloxy)azetidine-1-carboxylate
CID 131847470
benzyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 44828813
(3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 58284767
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
CID 156705167
benzyl (3R,4S)-3-hydroxy-4-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 46939031
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276

Frequently Asked Questions

What is the IUPAC name of benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane?
The IUPAC name of benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane (CID 143474656) is benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane.
What is the SMILES notation for benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane?
The canonical SMILES for benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane is CC.O=C(OCc1ccccc1)N1CC(OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane?
The InChIKey is ZSSIQMRYKIKGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3.C2H6/c20-18(22-14-16-9-5-2-6-10-16)19-11-17(12-19)21-13-15-7-3-1-4-8-15;1-2/h1-10,17H,11-14H2;1-2H3.
What are the key properties of benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane?
benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane has a molecular weight of 327.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane is sourced from PubChem (CID 143474656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).