N-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide

C17H22N2O4 — CID 172887206

IUPACN-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide
SMILESC=CC(=O)N1CCOCC1CC(=O)Nc1ccccc1OCC
InChIInChI=1S/C17H22N2O4/c1-3-17(21)19-9-10-22-12-13(19)11-16(20)18-14-7-5-6-8-15(14)23-4-2/h3,5-8,13H,1,4,9-12H2,2H3,(H,18,20)
InChIKeyANCWTSSXAMPRRT-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.83
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide

N-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide (PubChem CID 172887206) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide
PubChem CID172887206
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide
SMILESC=CC(=O)N1CCOCC1CC(=O)Nc1ccccc1OCC
InChIInChI=1S/C17H22N2O4/c1-3-17(21)19-9-10-22-12-13(19)11-16(20)18-14-7-5-6-8-15(14)23-4-2/h3,5-8,13H,1,4,9-12H2,2H3,(H,18,20)
InChIKeyANCWTSSXAMPRRT-UHFFFAOYSA-N
XLogP1.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-ethoxypyridine-3-carbonyl)morpholin-3-yl]-N-(2-fluorophenyl)acetamide
CID 56890708
2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide
CID 8512875
N-(2-ethoxyphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide
CID 78457461
ethyl 4-[3-(2-ethoxyanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950350
1-(2-ethoxyphenyl)-3-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]urea
CID 172888667
N-(2-ethoxyphenyl)morpholine-4-carbothioamide
CID 3863223
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
CID 174193763
CID 174193763
N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide
CID 50950521
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592828
N-(2-ethoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54831932
N-(2-ethoxyphenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358452

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide (CID 172887206) is N-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide is C=CC(=O)N1CCOCC1CC(=O)Nc1ccccc1OCC.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide?
The InChIKey is ANCWTSSXAMPRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-17(21)19-9-10-22-12-13(19)11-16(20)18-14-7-5-6-8-15(14)23-4-2/h3,5-8,13H,1,4,9-12H2,2H3,(H,18,20).
What are the key properties of N-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide?
N-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide has a molecular weight of 318.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide is sourced from PubChem (CID 172887206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).