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

C14H18N2O5 — CID 78150290

IUPACN-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(C2OCC(=O)NC2CO)cc1
InChIInChI=1S/C14H18N2O5/c1-20-7-12(18)15-10-4-2-9(3-5-10)14-11(6-17)16-13(19)8-21-14/h2-5,11,14,17H,6-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyMOLSTBAPPIGIKX-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.18
Rot. Bonds5

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

N-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide (PubChem CID 78150290) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
PubChem CID78150290
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC NameN-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(C2OCC(=O)NC2CO)cc1
InChIInChI=1S/C14H18N2O5/c1-20-7-12(18)15-10-4-2-9(3-5-10)14-11(6-17)16-13(19)8-21-14/h2-5,11,14,17H,6-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyMOLSTBAPPIGIKX-UHFFFAOYSA-N
XLogP-0.18
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea
CID 78150293
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
CID 78150368
4-cyano-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzamide
CID 71693238
N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
CID 78150430
N-[4-(hydroxymethyl)phenyl]-2-methoxyacetamide
CID 64794296
N-[4-(cyclopentylamino)phenyl]-2-methoxyacetamide
CID 43717401
N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide
CID 78150565
N-[4-[3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-2-phenoxyacetamide
CID 78150404
N-[4-(dicyclopropylmethylamino)phenyl]-2-methoxyacetamide
CID 43717450
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 71693629
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide (CID 78150290) is N-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(C2OCC(=O)NC2CO)cc1.
What is the InChIKey of N-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide?
The InChIKey is MOLSTBAPPIGIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-20-7-12(18)15-10-4-2-9(3-5-10)14-11(6-17)16-13(19)8-21-14/h2-5,11,14,17H,6-8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide?
N-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide has a molecular weight of 294.31 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 78150290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).