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

C17H24N2O3 — CID 53244782

IUPACN-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)NCc1ccccc1
InChIInChI=1S/C17H24N2O3/c1-4-19-12-17(2,3)22-16(21)14(19)10-15(20)18-11-13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3,(H,18,20)
InChIKeyHDQDPKGDVSOCOA-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.72
Rot. Bonds5

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

N-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide (PubChem CID 53244782) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
PubChem CID53244782
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)NCc1ccccc1
InChIInChI=1S/C17H24N2O3/c1-4-19-12-17(2,3)22-16(21)14(19)10-15(20)18-11-13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3,(H,18,20)
InChIKeyHDQDPKGDVSOCOA-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one
CID 157126602
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 41385144
N-benzyl-2-[(2R)-3-[(3R,4S,5S)-5-hydroxy-6-oxo-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetamide
CID 88931547
(4R)-4-benzyl-2,2-dimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one
CID 139115597
N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea
CID 130792779
N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79119765
methyl 2-[(2S)-1-[2-(benzylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8560174
N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79547063
N-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide
CID 4913572
N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 1352347

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide (CID 53244782) is N-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide is CCN1CC(C)(C)OC(=O)C1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
The InChIKey is HDQDPKGDVSOCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-19-12-17(2,3)22-16(21)14(19)10-15(20)18-11-13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3,(H,18,20).
What are the key properties of N-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
N-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide is sourced from PubChem (CID 53244782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).