2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-phenylphenyl)methyl]acetamide

C23H28N2O3 — CID 53245238

IUPAC2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-phenylphenyl)methyl]acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)NCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H28N2O3/c1-4-25-16-23(2,3)28-22(27)20(25)14-21(26)24-15-17-9-8-12-19(13-17)18-10-6-5-7-11-18/h5-13,20H,4,14-16H2,1-3H3,(H,24,26)
InChIKeyJFDRNBKIUXDUGP-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.39
Rot. Bonds6

About 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-phenylphenyl)methyl]acetamide

2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-phenylphenyl)methyl]acetamide (PubChem CID 53245238) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-phenylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-phenylphenyl)methyl]acetamide
PubChem CID53245238
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-phenylphenyl)methyl]acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)NCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H28N2O3/c1-4-25-16-23(2,3)28-22(27)20(25)14-21(26)24-15-17-9-8-12-19(13-17)18-10-6-5-7-11-18/h5-13,20H,4,14-16H2,1-3H3,(H,24,26)
InChIKeyJFDRNBKIUXDUGP-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-((3-(trifluoromethyl)phenyl)methyl)acetamide
CID 53245170
methyl (2S)-2-[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]-4-oxo-4-(tritylamino)butanoate
CID 45139379
Propyl [1-(2-methylbenzyl)-3-oxopiperazin-2-yl]acetate
CID 4777789
2-[1-(4-biphenylylmethyl)-3-oxo-2-piperazinyl]-N-isopropyl-N-(2-methoxyethyl)acetamide
CID 16190942
2-(6,6-Dimethyl-2-oxo-4-phenylmorpholin-3-yl)-N-(4-isopropylphenyl)acetamide
CID 53244395
N-(4-Chlorobenzyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53244723
N-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53244782
2-(4-Ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-phenethylacetamide
CID 53244846
N-(3-Chlorobenzyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53245044
N-(2-Chlorobenzyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53245105
2-(4-Ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(3-methyl benzyl)acetamide
CID 53245111
2-(4-Benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-isopropylphenyl)acetamide
CID 53245300

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-phenylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-phenylphenyl)methyl]acetamide (CID 53245238) is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-phenylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-phenylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-phenylphenyl)methyl]acetamide is CCN1CC(C)(C)OC(=O)C1CC(=O)NCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-phenylphenyl)methyl]acetamide?
The InChIKey is JFDRNBKIUXDUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-25-16-23(2,3)28-22(27)20(25)14-21(26)24-15-17-9-8-12-19(13-17)18-10-6-5-7-11-18/h5-13,20H,4,14-16H2,1-3H3,(H,24,26).
What are the key properties of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-phenylphenyl)methyl]acetamide?
2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-phenylphenyl)methyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.39, 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-[(3-phenylphenyl)methyl]acetamide is sourced from PubChem (CID 53245238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).