(4-benzylmorpholin-2-yl)methyl N-(4-phenylmethoxyphenyl)carbamate

C26H28N2O4 — CID 2815722

IUPAC(4-benzylmorpholin-2-yl)methyl N-(4-phenylmethoxyphenyl)carbamate
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)OCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C26H28N2O4/c29-26(27-23-11-13-24(14-12-23)31-19-22-9-5-2-6-10-22)32-20-25-18-28(15-16-30-25)17-21-7-3-1-4-8-21/h1-14,25H,15-20H2,(H,27,29)
InChIKeyPXGXYYDXQDUXFU-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.72
Rot. Bonds8

About (4-benzylmorpholin-2-yl)methyl N-(4-phenylmethoxyphenyl)carbamate

(4-benzylmorpholin-2-yl)methyl N-(4-phenylmethoxyphenyl)carbamate (PubChem CID 2815722) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is (4-benzylmorpholin-2-yl)methyl N-(4-phenylmethoxyphenyl)carbamate.

Molecular Properties

Compound Name(4-benzylmorpholin-2-yl)methyl N-(4-phenylmethoxyphenyl)carbamate
PubChem CID2815722
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name(4-benzylmorpholin-2-yl)methyl N-(4-phenylmethoxyphenyl)carbamate
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)OCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C26H28N2O4/c29-26(27-23-11-13-24(14-12-23)31-19-22-9-5-2-6-10-22)32-20-25-18-28(15-16-30-25)17-21-7-3-1-4-8-21/h1-14,25H,15-20H2,(H,27,29)
InChIKeyPXGXYYDXQDUXFU-UHFFFAOYSA-N
XLogP4.72
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (4-benzylmorpholin-2-yl)methyl N-(4-phenylmethoxyphenyl)carbamate?
The IUPAC name of (4-benzylmorpholin-2-yl)methyl N-(4-phenylmethoxyphenyl)carbamate (CID 2815722) is (4-benzylmorpholin-2-yl)methyl N-(4-phenylmethoxyphenyl)carbamate.
What is the SMILES notation for (4-benzylmorpholin-2-yl)methyl N-(4-phenylmethoxyphenyl)carbamate?
The canonical SMILES for (4-benzylmorpholin-2-yl)methyl N-(4-phenylmethoxyphenyl)carbamate is O=C(Nc1ccc(OCc2ccccc2)cc1)OCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (4-benzylmorpholin-2-yl)methyl N-(4-phenylmethoxyphenyl)carbamate?
The InChIKey is PXGXYYDXQDUXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c29-26(27-23-11-13-24(14-12-23)31-19-22-9-5-2-6-10-22)32-20-25-18-28(15-16-30-25)17-21-7-3-1-4-8-21/h1-14,25H,15-20H2,(H,27,29).
What are the key properties of (4-benzylmorpholin-2-yl)methyl N-(4-phenylmethoxyphenyl)carbamate?
(4-benzylmorpholin-2-yl)methyl N-(4-phenylmethoxyphenyl)carbamate has a molecular weight of 432.52 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylmorpholin-2-yl)methyl N-(4-phenylmethoxyphenyl)carbamate is sourced from PubChem (CID 2815722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).