diethyl [(Z)-1-naphthalen-2-ylpent-4-enylideneamino] phosphate

C19H24NO4P — CID 102032189

IUPACdiethyl [(Z)-1-naphthalen-2-ylpent-4-enylideneamino] phosphate
SMILESC=CCC/C(=N/OP(=O)(OCC)OCC)c1ccc2ccccc2c1
InChIInChI=1S/C19H24NO4P/c1-4-7-12-19(20-24-25(21,22-5-2)23-6-3)18-14-13-16-10-8-9-11-17(16)15-18/h4,8-11,13-15H,1,5-7,12H2,2-3H3/b20-19-
InChIKeyFWULIENGFMUOQV-VXPUYCOJSA-N
MW361.38 g/mol
LogP5.71
Rot. Bonds10

About diethyl [(Z)-1-naphthalen-2-ylpent-4-enylideneamino] phosphate

diethyl [(Z)-1-naphthalen-2-ylpent-4-enylideneamino] phosphate (PubChem CID 102032189) has the molecular formula C19H24NO4P and a molecular weight of 361.38 g/mol. Its IUPAC name is diethyl [(Z)-1-naphthalen-2-ylpent-4-enylideneamino] phosphate.

Molecular Properties

Compound Namediethyl [(Z)-1-naphthalen-2-ylpent-4-enylideneamino] phosphate
PubChem CID102032189
Molecular FormulaC19H24NO4P
Molecular Weight361.38 g/mol
Exact Mass361.14
IUPAC Namediethyl [(Z)-1-naphthalen-2-ylpent-4-enylideneamino] phosphate
SMILESC=CCC/C(=N/OP(=O)(OCC)OCC)c1ccc2ccccc2c1
InChIInChI=1S/C19H24NO4P/c1-4-7-12-19(20-24-25(21,22-5-2)23-6-3)18-14-13-16-10-8-9-11-17(16)15-18/h4,8-11,13-15H,1,5-7,12H2,2-3H3/b20-19-
InChIKeyFWULIENGFMUOQV-VXPUYCOJSA-N
XLogP5.71
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.38
LogP ≤ 55.71
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

Phosphinic acid, (4,5-dihydro-3-(1-naphthalenyl)-5-isoxazolyl)methyl-
CID 3079425
Phosphonic acid, (4,5-dihydro-3-(1-naphthalenyl)-5-isoxazolyl)-
CID 3079434
diethyl [(Z)-1-(3-methylphenyl)ethylideneamino] phosphate
CID 5382083
(E)-2-[2-[(E)-2-diethoxyphosphorylethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine
CID 138984335
(E)-2-diethoxyphosphoryl-3-(2-naphthyl)prop-2-enenitrile
CID 5467571
1-(2-naphthyl)ethanone O-methyloxime
CID 9615984
(E)-N-(diethoxyphosphorylmethyl)-1-naphthalen-1-ylmethanimine
CID 13740529
diethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate
CID 24950500
(E)-1-(naphthalen-2-yl)ethan-1-one O-ethyl oxime
CID 52540016
[(E)-[1-[(1R,2S)-2-ethenylcyclohexyl]-3-phenylpropylidene]amino] diethyl phosphate
CID 56971210
N-methoxy-1-(2-anthryl)ethanimine
CID 129693987
[[2-(Cyclohexen-1-yl)-1-phenylethylidene]amino] diethyl phosphate
CID 135011677

Frequently Asked Questions

What is the IUPAC name of diethyl [(Z)-1-naphthalen-2-ylpent-4-enylideneamino] phosphate?
The IUPAC name of diethyl [(Z)-1-naphthalen-2-ylpent-4-enylideneamino] phosphate (CID 102032189) is diethyl [(Z)-1-naphthalen-2-ylpent-4-enylideneamino] phosphate.
What is the SMILES notation for diethyl [(Z)-1-naphthalen-2-ylpent-4-enylideneamino] phosphate?
The canonical SMILES for diethyl [(Z)-1-naphthalen-2-ylpent-4-enylideneamino] phosphate is C=CCC/C(=N/OP(=O)(OCC)OCC)c1ccc2ccccc2c1.
What is the InChIKey of diethyl [(Z)-1-naphthalen-2-ylpent-4-enylideneamino] phosphate?
The InChIKey is FWULIENGFMUOQV-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H24NO4P/c1-4-7-12-19(20-24-25(21,22-5-2)23-6-3)18-14-13-16-10-8-9-11-17(16)15-18/h4,8-11,13-15H,1,5-7,12H2,2-3H3/b20-19-.
What are the key properties of diethyl [(Z)-1-naphthalen-2-ylpent-4-enylideneamino] phosphate?
diethyl [(Z)-1-naphthalen-2-ylpent-4-enylideneamino] phosphate has a molecular weight of 361.38 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(Z)-1-naphthalen-2-ylpent-4-enylideneamino] phosphate is sourced from PubChem (CID 102032189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).