ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

C16H24N2O4 — CID 167446651

IUPACethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESC=C.CNC(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1
InChIInChI=1S/C14H20N2O4.C2H4/c1-9(2)16-13(17)8-20-11-6-5-10(14(18)15-3)7-12(11)19-4;1-2/h5-7,9H,8H2,1-4H3,(H,15,18)(H,16,17);1-2H2
InChIKeyYPPJRNPLMIJTSS-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.76
Rot. Bonds6

About ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (PubChem CID 167446651) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.

Molecular Properties

Compound Nameethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
PubChem CID167446651
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nameethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESC=C.CNC(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1
InChIInChI=1S/C14H20N2O4.C2H4/c1-9(2)16-13(17)8-20-11-6-5-10(14(18)15-3)7-12(11)19-4;1-2/h5-7,9H,8H2,1-4H3,(H,15,18)(H,16,17);1-2H2
InChIKeyYPPJRNPLMIJTSS-UHFFFAOYSA-N
XLogP1.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120832066
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120507137
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965
N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 46486629
N-[(2R)-2-(ethylamino)propyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120654487
N-(2-amino-2-oxo-1-phenylethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55776273
3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55772596
N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55770873
N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride
CID 119478225
(2-ethoxyphenyl) 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoate
CID 55771663
N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55777600

Frequently Asked Questions

What is the IUPAC name of ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The IUPAC name of ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (CID 167446651) is ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.
What is the SMILES notation for ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The canonical SMILES for ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is C=C.CNC(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1.
What is the InChIKey of ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The InChIKey is YPPJRNPLMIJTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4.C2H4/c1-9(2)16-13(17)8-20-11-6-5-10(14(18)15-3)7-12(11)19-4;1-2/h5-7,9H,8H2,1-4H3,(H,15,18)(H,16,17);1-2H2.
What are the key properties of ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide has a molecular weight of 308.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is sourced from PubChem (CID 167446651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).