[(3-ethyl-1-phenylpentylidene)amino] phosphate

C13H18NO4P-2 — CID 57375139

IUPAC[(3-ethyl-1-phenylpentylidene)amino] phosphate
SMILESCCC(CC)CC(=NOP(=O)([O-])[O-])c1ccccc1
InChIInChI=1S/C13H20NO4P/c1-3-11(4-2)10-13(14-18-19(15,16)17)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H2,15,16,17)/p-2
InChIKeyAIBJJJNYQAATGJ-UHFFFAOYSA-L
MW283.26 g/mol
LogP2.06
Rot. Bonds7

About [(3-ethyl-1-phenylpentylidene)amino] phosphate

[(3-ethyl-1-phenylpentylidene)amino] phosphate (PubChem CID 57375139) has the molecular formula C13H18NO4P-2 and a molecular weight of 283.26 g/mol. Its IUPAC name is [(3-ethyl-1-phenylpentylidene)amino] phosphate.

Molecular Properties

Compound Name[(3-ethyl-1-phenylpentylidene)amino] phosphate
PubChem CID57375139
Molecular FormulaC13H18NO4P-2
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC Name[(3-ethyl-1-phenylpentylidene)amino] phosphate
SMILESCCC(CC)CC(=NOP(=O)([O-])[O-])c1ccccc1
InChIInChI=1S/C13H20NO4P/c1-3-11(4-2)10-13(14-18-19(15,16)17)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H2,15,16,17)/p-2
InChIKeyAIBJJJNYQAATGJ-UHFFFAOYSA-L
XLogP2.06
TPSA84.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-phenylpropylideneamino)ethanol
CID 174080576
(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
CID 87328023
(2-ethyl-4-methylpentyl) benzoate
CID 70180902
diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate
CID 24950663
ethyl [(E)-1-phenylpropylideneamino] carbonate
CID 134874580
[2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene
CID 102258998
N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide
CID 4581663
(E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine
CID 10706817
1-dimethoxyphosphorylpropyl benzoate
CID 134920574
ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate
CID 142227813
N-methoxy-1-phenylhexan-1-imine
CID 141496906
2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one
CID 43796822

Frequently Asked Questions

What is the IUPAC name of [(3-ethyl-1-phenylpentylidene)amino] phosphate?
The IUPAC name of [(3-ethyl-1-phenylpentylidene)amino] phosphate (CID 57375139) is [(3-ethyl-1-phenylpentylidene)amino] phosphate.
What is the SMILES notation for [(3-ethyl-1-phenylpentylidene)amino] phosphate?
The canonical SMILES for [(3-ethyl-1-phenylpentylidene)amino] phosphate is CCC(CC)CC(=NOP(=O)([O-])[O-])c1ccccc1.
What is the InChIKey of [(3-ethyl-1-phenylpentylidene)amino] phosphate?
The InChIKey is AIBJJJNYQAATGJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H20NO4P/c1-3-11(4-2)10-13(14-18-19(15,16)17)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H2,15,16,17)/p-2.
What are the key properties of [(3-ethyl-1-phenylpentylidene)amino] phosphate?
[(3-ethyl-1-phenylpentylidene)amino] phosphate has a molecular weight of 283.26 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethyl-1-phenylpentylidene)amino] phosphate is sourced from PubChem (CID 57375139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).