N-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide

C22H26N2O5 — CID 78150404

IUPACN-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide
SMILESCC(C)N1C(=O)COC(c2ccc(NC(=O)COc3ccccc3)cc2)C1CO
InChIInChI=1S/C22H26N2O5/c1-15(2)24-19(12-25)22(29-14-21(24)27)16-8-10-17(11-9-16)23-20(26)13-28-18-6-4-3-5-7-18/h3-11,15,19,22,25H,12-14H2,1-2H3,(H,23,26)
InChIKeyKGPKLUJQSPHQGO-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.37
Rot. Bonds7

About N-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide

N-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide (PubChem CID 78150404) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide
PubChem CID78150404
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide
SMILESCC(C)N1C(=O)COC(c2ccc(NC(=O)COc3ccccc3)cc2)C1CO
InChIInChI=1S/C22H26N2O5/c1-15(2)24-19(12-25)22(29-14-21(24)27)16-8-10-17(11-9-16)23-20(26)13-28-18-6-4-3-5-7-18/h3-11,15,19,22,25H,12-14H2,1-2H3,(H,23,26)
InChIKeyKGPKLUJQSPHQGO-UHFFFAOYSA-N
XLogP2.37
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide
CID 78150565
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
CID 78150368
N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenoxyacetamide
CID 110715342
N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
CID 78150430
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide
CID 16828121
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]cyclopentanecarboxamide
CID 78150380
1-(4-fluorophenyl)-3-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]urea
CID 78150676
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide
CID 23125162
N-[4-(cyclopropylamino)phenyl]-2-phenoxyacetamide
CID 112979976
1-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-tert-butylurea
CID 71693270
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150317

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide (CID 78150404) is N-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide is CC(C)N1C(=O)COC(c2ccc(NC(=O)COc3ccccc3)cc2)C1CO.
What is the InChIKey of N-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide?
The InChIKey is KGPKLUJQSPHQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-15(2)24-19(12-25)22(29-14-21(24)27)16-8-10-17(11-9-16)23-20(26)13-28-18-6-4-3-5-7-18/h3-11,15,19,22,25H,12-14H2,1-2H3,(H,23,26).
What are the key properties of N-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide?
N-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide has a molecular weight of 398.46 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 78150404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).