N-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide

C10H20NO4P — CID 15270678

IUPACN-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide
SMILESCCOP(=O)(/C=C/C(C)NC(C)=O)OCC
InChIInChI=1S/C10H20NO4P/c1-5-14-16(13,15-6-2)8-7-9(3)11-10(4)12/h7-9H,5-6H2,1-4H3,(H,11,12)/b8-7+
InChIKeyQAZDMSWOIMAZJH-BQYQJAHWSA-N
MW249.25 g/mol
LogP2.29
Rot. Bonds7

About N-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide

N-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide (PubChem CID 15270678) has the molecular formula C10H20NO4P and a molecular weight of 249.25 g/mol. Its IUPAC name is N-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide
PubChem CID15270678
Molecular FormulaC10H20NO4P
Molecular Weight249.25 g/mol
Exact Mass249.11
IUPAC NameN-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide
SMILESCCOP(=O)(/C=C/C(C)NC(C)=O)OCC
InChIInChI=1S/C10H20NO4P/c1-5-14-16(13,15-6-2)8-7-9(3)11-10(4)12/h7-9H,5-6H2,1-4H3,(H,11,12)/b8-7+
InChIKeyQAZDMSWOIMAZJH-BQYQJAHWSA-N
XLogP2.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide
CID 14924309
1-diethoxyphosphoryl-3-methylbut-1-ene
CID 71407469
N-[(E,2S)-hex-3-en-2-yl]acetamide
CID 134947978
1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene
CID 123175625
(1E,3E)-4-diethoxyphosphoryl-2-methylbuta-1,3-dien-1-ol
CID 15453808
N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide
CID 102320660
N-[(E)-4-dimethoxyphosphoryl-1-hydroxybut-3-en-2-yl]acetamide
CID 155378678
methyl 2-acetamido-2-diethoxyphosphorylacetate
CID 19013464
(1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene
CID 139664435
CID 134857162
CID 134857162
N-[(1S)-2,2,2-trichloro-1-diethoxyphosphorylethyl]acetamide
CID 2305152
diethyl 2-acetamido-2-[(E)-3-diethoxyphosphorylprop-2-enyl]propanedioate
CID 15415236

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide?
The IUPAC name of N-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide (CID 15270678) is N-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide.
What is the SMILES notation for N-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide?
The canonical SMILES for N-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide is CCOP(=O)(/C=C/C(C)NC(C)=O)OCC.
What is the InChIKey of N-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide?
The InChIKey is QAZDMSWOIMAZJH-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H20NO4P/c1-5-14-16(13,15-6-2)8-7-9(3)11-10(4)12/h7-9H,5-6H2,1-4H3,(H,11,12)/b8-7+.
What are the key properties of N-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide?
N-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide has a molecular weight of 249.25 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide is sourced from PubChem (CID 15270678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).