benzyl N-[4-[1-benzyl-2-(phenylmethoxymethyl)azetidin-2-yl]phenyl]carbamate

C32H32N2O3 — CID 18174839

IUPACbenzyl N-[4-[1-benzyl-2-(phenylmethoxymethyl)azetidin-2-yl]phenyl]carbamate
SMILESO=C(Nc1ccc(C2(COCc3ccccc3)CCN2Cc2ccccc2)cc1)OCc1ccccc1
InChIInChI=1S/C32H32N2O3/c35-31(37-24-28-14-8-3-9-15-28)33-30-18-16-29(17-19-30)32(25-36-23-27-12-6-2-7-13-27)20-21-34(32)22-26-10-4-1-5-11-26/h1-19H,20-25H2,(H,33,35)
InChIKeyWQBVDNGLBUDQQX-UHFFFAOYSA-N
MW492.62 g/mol
LogP6.75
Rot. Bonds10

About benzyl N-[4-[1-benzyl-2-(phenylmethoxymethyl)azetidin-2-yl]phenyl]carbamate

benzyl N-[4-[1-benzyl-2-(phenylmethoxymethyl)azetidin-2-yl]phenyl]carbamate (PubChem CID 18174839) has the molecular formula C32H32N2O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is benzyl N-[4-[1-benzyl-2-(phenylmethoxymethyl)azetidin-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[1-benzyl-2-(phenylmethoxymethyl)azetidin-2-yl]phenyl]carbamate
PubChem CID18174839
Molecular FormulaC32H32N2O3
Molecular Weight492.62 g/mol
Exact Mass492.24
IUPAC Namebenzyl N-[4-[1-benzyl-2-(phenylmethoxymethyl)azetidin-2-yl]phenyl]carbamate
SMILESO=C(Nc1ccc(C2(COCc3ccccc3)CCN2Cc2ccccc2)cc1)OCc1ccccc1
InChIInChI=1S/C32H32N2O3/c35-31(37-24-28-14-8-3-9-15-28)33-30-18-16-29(17-19-30)32(25-36-23-27-12-6-2-7-13-27)20-21-34(32)22-26-10-4-1-5-11-26/h1-19H,20-25H2,(H,33,35)
InChIKeyWQBVDNGLBUDQQX-UHFFFAOYSA-N
XLogP6.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[1-benzyl-2-(phenylmethoxymethyl)azetidin-2-yl]phenyl]carbamate?
The IUPAC name of benzyl N-[4-[1-benzyl-2-(phenylmethoxymethyl)azetidin-2-yl]phenyl]carbamate (CID 18174839) is benzyl N-[4-[1-benzyl-2-(phenylmethoxymethyl)azetidin-2-yl]phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-[1-benzyl-2-(phenylmethoxymethyl)azetidin-2-yl]phenyl]carbamate?
The canonical SMILES for benzyl N-[4-[1-benzyl-2-(phenylmethoxymethyl)azetidin-2-yl]phenyl]carbamate is O=C(Nc1ccc(C2(COCc3ccccc3)CCN2Cc2ccccc2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-[1-benzyl-2-(phenylmethoxymethyl)azetidin-2-yl]phenyl]carbamate?
The InChIKey is WQBVDNGLBUDQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O3/c35-31(37-24-28-14-8-3-9-15-28)33-30-18-16-29(17-19-30)32(25-36-23-27-12-6-2-7-13-27)20-21-34(32)22-26-10-4-1-5-11-26/h1-19H,20-25H2,(H,33,35).
What are the key properties of benzyl N-[4-[1-benzyl-2-(phenylmethoxymethyl)azetidin-2-yl]phenyl]carbamate?
benzyl N-[4-[1-benzyl-2-(phenylmethoxymethyl)azetidin-2-yl]phenyl]carbamate has a molecular weight of 492.62 g/mol, XLogP of 6.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[1-benzyl-2-(phenylmethoxymethyl)azetidin-2-yl]phenyl]carbamate is sourced from PubChem (CID 18174839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).