N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide

C16H24N2O3 — CID 81208632

IUPACN-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
SMILESCC1COC(CO)CN1CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-13-12-21-15(11-19)9-18(13)10-16(20)17(2)8-14-6-4-3-5-7-14/h3-7,13,15,19H,8-12H2,1-2H3
InChIKeyYIWCNRTZKFXWPH-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.73
Rot. Bonds5

About N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide

N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide (PubChem CID 81208632) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
PubChem CID81208632
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
SMILESCC1COC(CO)CN1CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-13-12-21-15(11-19)9-18(13)10-16(20)17(2)8-14-6-4-3-5-7-14/h3-7,13,15,19H,8-12H2,1-2H3
InChIKeyYIWCNRTZKFXWPH-UHFFFAOYSA-N
XLogP0.73
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81219868
N-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81219227
N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide
CID 102787693
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
CID 81204259
N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 78942574
2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid
CID 81204463
N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63873691
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-(4-hydroxyphenyl)ethanone
CID 81204106
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
CID 81204330
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one
CID 107507511
N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide
CID 81219149
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide (CID 81208632) is N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide is CC1COC(CO)CN1CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide?
The InChIKey is YIWCNRTZKFXWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13-12-21-15(11-19)9-18(13)10-16(20)17(2)8-14-6-4-3-5-7-14/h3-7,13,15,19H,8-12H2,1-2H3.
What are the key properties of N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide?
N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide has a molecular weight of 292.38 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide is sourced from PubChem (CID 81208632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).