N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide

C26H26N2O4 — CID 78150332

IUPACN-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C2OCC(=O)N(Cc3ccccc3)C2CO)cc1
InChIInChI=1S/C26H26N2O4/c1-18-7-5-6-10-22(18)26(31)27-21-13-11-20(12-14-21)25-23(16-29)28(24(30)17-32-25)15-19-8-3-2-4-9-19/h2-14,23,25,29H,15-17H2,1H3,(H,27,31)
InChIKeyPVUVWEKNDFHOOZ-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.71
Rot. Bonds6

About N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide

N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide (PubChem CID 78150332) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
PubChem CID78150332
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC NameN-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C2OCC(=O)N(Cc3ccccc3)C2CO)cc1
InChIInChI=1S/C26H26N2O4/c1-18-7-5-6-10-22(18)26(31)27-21-13-11-20(12-14-21)25-23(16-29)28(24(30)17-32-25)15-19-8-3-2-4-9-19/h2-14,23,25,29H,15-17H2,1H3,(H,27,31)
InChIKeyPVUVWEKNDFHOOZ-UHFFFAOYSA-N
XLogP3.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide (CID 78150332) is N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(C2OCC(=O)N(Cc3ccccc3)C2CO)cc1.
What is the InChIKey of N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide?
The InChIKey is PVUVWEKNDFHOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-18-7-5-6-10-22(18)26(31)27-21-13-11-20(12-14-21)25-23(16-29)28(24(30)17-32-25)15-19-8-3-2-4-9-19/h2-14,23,25,29H,15-17H2,1H3,(H,27,31).
What are the key properties of N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide?
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide has a molecular weight of 430.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 78150332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).