2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-phenylethyl)acetamide

C18H26N2O3 — CID 53244846

IUPAC2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-phenylethyl)acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)NCCc1ccccc1
InChIInChI=1S/C18H26N2O3/c1-4-20-13-18(2,3)23-17(22)15(20)12-16(21)19-11-10-14-8-6-5-7-9-14/h5-9,15H,4,10-13H2,1-3H3,(H,19,21)
InChIKeyMMNHUSYGJCBULD-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.76
Rot. Bonds6

About 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-phenylethyl)acetamide

2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-phenylethyl)acetamide (PubChem CID 53244846) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-phenylethyl)acetamide
PubChem CID53244846
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-phenylethyl)acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)NCCc1ccccc1
InChIInChI=1S/C18H26N2O3/c1-4-20-13-18(2,3)23-17(22)15(20)12-16(21)19-11-10-14-8-6-5-7-9-14/h5-9,15H,4,10-13H2,1-3H3,(H,19,21)
InChIKeyMMNHUSYGJCBULD-UHFFFAOYSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-isopropyl-3-oxopiperazin-2-yl)-N-(3-phenylpropyl)acetamide
CID 23723417
2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-((3-(trifluoromethyl)phenyl)methyl)acetamide
CID 53245170
[3-Oxo-1-(3-phenylpropyl)-2-piperazinyl]-acetic acid
CID 2997405
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]heptyl]carbamate
CID 53316899
N-(biphenyl-3-ylmethyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53245238
Propyl [1-(2-methylbenzyl)-3-oxopiperazin-2-yl]acetate
CID 4777789
tert-butyl N-[8-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]octyl]carbamate
CID 53316900
tert-butyl N-[3-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]propyl]carbamate
CID 53318205
tert-butyl N-[6-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]hexyl]carbamate
CID 53323517
tert-butyl N-[9-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]nonyl]carbamate
CID 53326111
tert-butyl N-[4-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]butyl]carbamate
CID 53326742
Methyl 5-benzyl-3,6-dioxo-2-piperazineacetate, (2S-cis)-
CID 11579977

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-phenylethyl)acetamide (CID 53244846) is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-phenylethyl)acetamide is CCN1CC(C)(C)OC(=O)C1CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is MMNHUSYGJCBULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-20-13-18(2,3)23-17(22)15(20)12-16(21)19-11-10-14-8-6-5-7-9-14/h5-9,15H,4,10-13H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-phenylethyl)acetamide?
2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 53244846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).