2-[[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide

C18H27N3O3 — CID 94173202

IUPAC2-[[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CN1C[C@H](C)OC[C@@H]1C
InChIInChI=1S/C18H27N3O3/c1-4-15-7-5-6-8-16(15)20-17(22)9-19-18(23)11-21-10-14(3)24-12-13(21)2/h5-8,13-14H,4,9-12H2,1-3H3,(H,19,23)(H,20,22)/t13-,14-/m0/s1
InChIKeyWXKTUCZKRWUNCF-KBPBESRZSA-N
MW333.43 g/mol
LogP1.41
Rot. Bonds6

About 2-[[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide

2-[[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide (PubChem CID 94173202) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide
PubChem CID94173202
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CN1C[C@H](C)OC[C@@H]1C
InChIInChI=1S/C18H27N3O3/c1-4-15-7-5-6-8-16(15)20-17(22)9-19-18(23)11-21-10-14(3)24-12-13(21)2/h5-8,13-14H,4,9-12H2,1-3H3,(H,19,23)(H,20,22)/t13-,14-/m0/s1
InChIKeyWXKTUCZKRWUNCF-KBPBESRZSA-N
XLogP1.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylmorpholin-4-yl)-N-(2-methylphenyl)acetamide
CID 134007228
2-[[2-(2,5-dimethylmorpholin-4-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46595457
2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 8540795
N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976124
2-(5-ethyl-2-methylmorpholin-4-yl)-N-naphthalen-1-ylacetamide
CID 42889992
2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 136514673
N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)acetamide
CID 46595482
N-(2-ethylphenyl)-2-[[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetyl]amino]acetamide
CID 78899179
N-(2,3-dimethylphenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81212627
2-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 120775680
N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide
CID 78818292
trans-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 9230482

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide (CID 94173202) is 2-[[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CNC(=O)CN1C[C@H](C)OC[C@@H]1C.
What is the InChIKey of 2-[[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide?
The InChIKey is WXKTUCZKRWUNCF-KBPBESRZSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-15-7-5-6-8-16(15)20-17(22)9-19-18(23)11-21-10-14(3)24-12-13(21)2/h5-8,13-14H,4,9-12H2,1-3H3,(H,19,23)(H,20,22)/t13-,14-/m0/s1.
What are the key properties of 2-[[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide?
2-[[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide has a molecular weight of 333.43 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 94173202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).