N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide

C18H26N2O5 — CID 78150368

IUPACN-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(C2OCC(=O)N(CC(C)C)C2CO)cc1
InChIInChI=1S/C18H26N2O5/c1-12(2)8-20-15(9-21)18(25-11-17(20)23)13-4-6-14(7-5-13)19-16(22)10-24-3/h4-7,12,15,18,21H,8-11H2,1-3H3,(H,19,22)
InChIKeyHWIHAHBRQGXSLC-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.19
Rot. Bonds7

About N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide

N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide (PubChem CID 78150368) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
PubChem CID78150368
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC NameN-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(C2OCC(=O)N(CC(C)C)C2CO)cc1
InChIInChI=1S/C18H26N2O5/c1-12(2)8-20-15(9-21)18(25-11-17(20)23)13-4-6-14(7-5-13)19-16(22)10-24-3/h4-7,12,15,18,21H,8-11H2,1-3H3,(H,19,22)
InChIKeyHWIHAHBRQGXSLC-UHFFFAOYSA-N
XLogP1.19
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropanamide
CID 71693319
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]cyclopentanecarboxamide
CID 78150380
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
CID 78150375
N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
CID 78150430
3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide
CID 71693316
N-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide
CID 78150404
N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide
CID 78150565
N-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
CID 78150290
N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropanamide
CID 71693590
N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150520
N-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide
CID 78150625
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 71693629

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide (CID 78150368) is N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(C2OCC(=O)N(CC(C)C)C2CO)cc1.
What is the InChIKey of N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide?
The InChIKey is HWIHAHBRQGXSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-12(2)8-20-15(9-21)18(25-11-17(20)23)13-4-6-14(7-5-13)19-16(22)10-24-3/h4-7,12,15,18,21H,8-11H2,1-3H3,(H,19,22).
What are the key properties of N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide?
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide has a molecular weight of 350.42 g/mol, XLogP of 1.19, 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)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 78150368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).