ethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate

C18H26N2O4 — CID 112506594

IUPACethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCC(c1ccc(CC)cc1)N1CCOCC1
InChIInChI=1S/C18H26N2O4/c1-3-14-5-7-15(8-6-14)16(20-9-11-23-12-10-20)13-19-17(21)18(22)24-4-2/h5-8,16H,3-4,9-13H2,1-2H3,(H,19,21)
InChIKeyJEWXURQAJMHMNX-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.30
Rot. Bonds6

About ethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate

ethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate (PubChem CID 112506594) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate
PubChem CID112506594
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Nameethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCC(c1ccc(CC)cc1)N1CCOCC1
InChIInChI=1S/C18H26N2O4/c1-3-14-5-7-15(8-6-14)16(20-9-11-23-12-10-20)13-19-17(21)18(22)24-4-2/h5-8,16H,3-4,9-13H2,1-2H3,(H,19,21)
InChIKeyJEWXURQAJMHMNX-UHFFFAOYSA-N
XLogP1.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
CID 45497405
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 112506556
ethyl 2-[[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]amino]-2-oxoacetate
CID 112504461
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835185
2-(4-ethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 34949571
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate
CID 112504371
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110623840
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835189
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide
CID 110304177
3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 112506584
methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate
CID 116860405

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate (CID 112506594) is ethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate is CCOC(=O)C(=O)NCC(c1ccc(CC)cc1)N1CCOCC1.
What is the InChIKey of ethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate?
The InChIKey is JEWXURQAJMHMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-14-5-7-15(8-6-14)16(20-9-11-23-12-10-20)13-19-17(21)18(22)24-4-2/h5-8,16H,3-4,9-13H2,1-2H3,(H,19,21).
What are the key properties of ethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate?
ethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate has a molecular weight of 334.42 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate is sourced from PubChem (CID 112506594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).