diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate

C15H22NO4P — CID 24950663

IUPACdiethyl [(E)-1-phenylpent-4-enylideneamino] phosphate
SMILESC=CCC/C(=N\OP(=O)(OCC)OCC)c1ccccc1
InChIInChI=1S/C15H22NO4P/c1-4-7-13-15(14-11-9-8-10-12-14)16-20-21(17,18-5-2)19-6-3/h4,8-12H,1,5-7,13H2,2-3H3/b16-15+
InChIKeyTWTFREVIVUHZEI-FOCLMDBBSA-N
MW311.32 g/mol
LogP4.55
Rot. Bonds10

About diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate

diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate (PubChem CID 24950663) has the molecular formula C15H22NO4P and a molecular weight of 311.32 g/mol. Its IUPAC name is diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate.

Molecular Properties

Compound Namediethyl [(E)-1-phenylpent-4-enylideneamino] phosphate
PubChem CID24950663
Molecular FormulaC15H22NO4P
Molecular Weight311.32 g/mol
Exact Mass311.13
IUPAC Namediethyl [(E)-1-phenylpent-4-enylideneamino] phosphate
SMILESC=CCC/C(=N\OP(=O)(OCC)OCC)c1ccccc1
InChIInChI=1S/C15H22NO4P/c1-4-7-13-15(14-11-9-8-10-12-14)16-20-21(17,18-5-2)19-6-3/h4,8-12H,1,5-7,13H2,2-3H3/b16-15+
InChIKeyTWTFREVIVUHZEI-FOCLMDBBSA-N
XLogP4.55
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diethyl 1-phenylprop-1-enyl phosphate
CID 71355749
O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate
CID 134889917
(E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine
CID 46944422
[(E)-[(Z)-4-[4-(4-benzoylphenyl)sulfanylphenyl]-1-(4-chlorophenyl)sulfanylhex-4-en-3-ylidene]amino] diethyl phosphate
CID 89202049
N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine
CID 163212329
[(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate
CID 5382095
diethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate
CID 134865341
[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
CID 15103917
(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
CID 87328023
N-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide
CID 2173614
2-diethoxyphosphoryloxyimino-2-(4-methylsulfanylphenyl)acetic acid
CID 57016731
[ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate
CID 174418871

Frequently Asked Questions

What is the IUPAC name of diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate?
The IUPAC name of diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate (CID 24950663) is diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate.
What is the SMILES notation for diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate?
The canonical SMILES for diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate is C=CCC/C(=N\OP(=O)(OCC)OCC)c1ccccc1.
What is the InChIKey of diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate?
The InChIKey is TWTFREVIVUHZEI-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H22NO4P/c1-4-7-13-15(14-11-9-8-10-12-14)16-20-21(17,18-5-2)19-6-3/h4,8-12H,1,5-7,13H2,2-3H3/b16-15+.
What are the key properties of diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate?
diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate has a molecular weight of 311.32 g/mol, XLogP of 4.55, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate is sourced from PubChem (CID 24950663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).