tert-butyl N-benzyl-N-[(2R,3R)-2-propyloxetan-3-yl]carbamate

C18H27NO3 — CID 10733392

IUPACtert-butyl N-benzyl-N-[(2R,3R)-2-propyloxetan-3-yl]carbamate
SMILESCCC[C@H]1OC[C@H]1N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H27NO3/c1-5-9-16-15(13-21-16)19(17(20)22-18(2,3)4)12-14-10-7-6-8-11-14/h6-8,10-11,15-16H,5,9,12-13H2,1-4H3/t15-,16-/m1/s1
InChIKeyFVDKNWXNGBERJZ-HZPDHXFCSA-N
MW305.42 g/mol
LogP3.99
Rot. Bonds5

About tert-butyl N-benzyl-N-[(2R,3R)-2-propyloxetan-3-yl]carbamate

tert-butyl N-benzyl-N-[(2R,3R)-2-propyloxetan-3-yl]carbamate (PubChem CID 10733392) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(2R,3R)-2-propyloxetan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[(2R,3R)-2-propyloxetan-3-yl]carbamate
PubChem CID10733392
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nametert-butyl N-benzyl-N-[(2R,3R)-2-propyloxetan-3-yl]carbamate
SMILESCCC[C@H]1OC[C@H]1N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H27NO3/c1-5-9-16-15(13-21-16)19(17(20)22-18(2,3)4)12-14-10-7-6-8-11-14/h6-8,10-11,15-16H,5,9,12-13H2,1-4H3/t15-,16-/m1/s1
InChIKeyFVDKNWXNGBERJZ-HZPDHXFCSA-N
XLogP3.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(2R,3R)-2-propyloxetan-3-yl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[(2R,3R)-2-propyloxetan-3-yl]carbamate (CID 10733392) is tert-butyl N-benzyl-N-[(2R,3R)-2-propyloxetan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[(2R,3R)-2-propyloxetan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[(2R,3R)-2-propyloxetan-3-yl]carbamate is CCC[C@H]1OC[C@H]1N(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-[(2R,3R)-2-propyloxetan-3-yl]carbamate?
The InChIKey is FVDKNWXNGBERJZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H27NO3/c1-5-9-16-15(13-21-16)19(17(20)22-18(2,3)4)12-14-10-7-6-8-11-14/h6-8,10-11,15-16H,5,9,12-13H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of tert-butyl N-benzyl-N-[(2R,3R)-2-propyloxetan-3-yl]carbamate?
tert-butyl N-benzyl-N-[(2R,3R)-2-propyloxetan-3-yl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[(2R,3R)-2-propyloxetan-3-yl]carbamate is sourced from PubChem (CID 10733392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).