2-acetamido-N-[2-ethylidene-5-(3-fluorophenoxy)hexa-3,5-dienyl]-3-methoxypropanamide

C20H25FN2O4 — CID 123742255

IUPAC2-acetamido-N-[2-ethylidene-5-(3-fluorophenoxy)hexa-3,5-dienyl]-3-methoxypropanamide
SMILESC=C(C=CC(=CC)CNC(=O)C(COC)NC(C)=O)Oc1cccc(F)c1
InChIInChI=1S/C20H25FN2O4/c1-5-16(12-22-20(25)19(13-26-4)23-15(3)24)10-9-14(2)27-18-8-6-7-17(21)11-18/h5-11,19H,2,12-13H2,1,3-4H3,(H,22,25)(H,23,24)
InChIKeyGFDFBUVZXNDDKJ-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.49
Rot. Bonds10

About 2-acetamido-N-[2-ethylidene-5-(3-fluorophenoxy)hexa-3,5-dienyl]-3-methoxypropanamide

2-acetamido-N-[2-ethylidene-5-(3-fluorophenoxy)hexa-3,5-dienyl]-3-methoxypropanamide (PubChem CID 123742255) has the molecular formula C20H25FN2O4 and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-acetamido-N-[2-ethylidene-5-(3-fluorophenoxy)hexa-3,5-dienyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-ethylidene-5-(3-fluorophenoxy)hexa-3,5-dienyl]-3-methoxypropanamide
PubChem CID123742255
Molecular FormulaC20H25FN2O4
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC Name2-acetamido-N-[2-ethylidene-5-(3-fluorophenoxy)hexa-3,5-dienyl]-3-methoxypropanamide
SMILESC=C(C=CC(=CC)CNC(=O)C(COC)NC(C)=O)Oc1cccc(F)c1
InChIInChI=1S/C20H25FN2O4/c1-5-16(12-22-20(25)19(13-26-4)23-15(3)24)10-9-14(2)27-18-8-6-7-17(21)11-18/h5-11,19H,2,12-13H2,1,3-4H3,(H,22,25)(H,23,24)
InChIKeyGFDFBUVZXNDDKJ-UHFFFAOYSA-N
XLogP2.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide
CID 134347935
N-cyclohexyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 2112791
(2R)-2-acetamido-3-methoxy-N-[(4-phenoxyphenyl)methyl]propanamide
CID 50899044
US11045457, Example 204
CID 146401899
US11045457, Example 195
CID 146402416
US11045457, Example 203
CID 146402429
3-(4-methoxyphenoxy)-N-[2-(4-morpholinyl)ethyl]propanamide hydrochloride
CID 2953896
2-phenoxy-N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide
CID 10061939
2-acetamido-N-[2-(3-fluorophenoxy)butyl]acetamide
CID 71859023
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-2-methylpropanamide
CID 13030906
(2S)-2-(3-phenoxypropanoylamino)propanoic acid
CID 42254573
(2R)-2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide
CID 44538163

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-ethylidene-5-(3-fluorophenoxy)hexa-3,5-dienyl]-3-methoxypropanamide?
The IUPAC name of 2-acetamido-N-[2-ethylidene-5-(3-fluorophenoxy)hexa-3,5-dienyl]-3-methoxypropanamide (CID 123742255) is 2-acetamido-N-[2-ethylidene-5-(3-fluorophenoxy)hexa-3,5-dienyl]-3-methoxypropanamide.
What is the SMILES notation for 2-acetamido-N-[2-ethylidene-5-(3-fluorophenoxy)hexa-3,5-dienyl]-3-methoxypropanamide?
The canonical SMILES for 2-acetamido-N-[2-ethylidene-5-(3-fluorophenoxy)hexa-3,5-dienyl]-3-methoxypropanamide is C=C(C=CC(=CC)CNC(=O)C(COC)NC(C)=O)Oc1cccc(F)c1.
What is the InChIKey of 2-acetamido-N-[2-ethylidene-5-(3-fluorophenoxy)hexa-3,5-dienyl]-3-methoxypropanamide?
The InChIKey is GFDFBUVZXNDDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4/c1-5-16(12-22-20(25)19(13-26-4)23-15(3)24)10-9-14(2)27-18-8-6-7-17(21)11-18/h5-11,19H,2,12-13H2,1,3-4H3,(H,22,25)(H,23,24).
What are the key properties of 2-acetamido-N-[2-ethylidene-5-(3-fluorophenoxy)hexa-3,5-dienyl]-3-methoxypropanamide?
2-acetamido-N-[2-ethylidene-5-(3-fluorophenoxy)hexa-3,5-dienyl]-3-methoxypropanamide has a molecular weight of 376.43 g/mol, XLogP of 2.49, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-ethylidene-5-(3-fluorophenoxy)hexa-3,5-dienyl]-3-methoxypropanamide is sourced from PubChem (CID 123742255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).