N-diethoxyphosphoryl-N-phenylmethoxyprop-2-en-1-amine

C14H22NO4P — CID 11438010

IUPACN-diethoxyphosphoryl-N-phenylmethoxyprop-2-en-1-amine
SMILESC=CCN(OCc1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C14H22NO4P/c1-4-12-15(20(16,18-5-2)19-6-3)17-13-14-10-8-7-9-11-14/h4,7-11H,1,5-6,12-13H2,2-3H3
InChIKeyRYUMSHRNCLBAFM-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.79
Rot. Bonds10

About N-diethoxyphosphoryl-N-phenylmethoxyprop-2-en-1-amine

N-diethoxyphosphoryl-N-phenylmethoxyprop-2-en-1-amine (PubChem CID 11438010) has the molecular formula C14H22NO4P and a molecular weight of 299.31 g/mol. Its IUPAC name is N-diethoxyphosphoryl-N-phenylmethoxyprop-2-en-1-amine.

Molecular Properties

Compound NameN-diethoxyphosphoryl-N-phenylmethoxyprop-2-en-1-amine
PubChem CID11438010
Molecular FormulaC14H22NO4P
Molecular Weight299.31 g/mol
Exact Mass299.13
IUPAC NameN-diethoxyphosphoryl-N-phenylmethoxyprop-2-en-1-amine
SMILESC=CCN(OCc1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C14H22NO4P/c1-4-12-15(20(16,18-5-2)19-6-3)17-13-14-10-8-7-9-11-14/h4,7-11H,1,5-6,12-13H2,2-3H3
InChIKeyRYUMSHRNCLBAFM-UHFFFAOYSA-N
XLogP3.79
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphoryl-N-phenylmethoxyprop-2-en-1-amine?
The IUPAC name of N-diethoxyphosphoryl-N-phenylmethoxyprop-2-en-1-amine (CID 11438010) is N-diethoxyphosphoryl-N-phenylmethoxyprop-2-en-1-amine.
What is the SMILES notation for N-diethoxyphosphoryl-N-phenylmethoxyprop-2-en-1-amine?
The canonical SMILES for N-diethoxyphosphoryl-N-phenylmethoxyprop-2-en-1-amine is C=CCN(OCc1ccccc1)P(=O)(OCC)OCC.
What is the InChIKey of N-diethoxyphosphoryl-N-phenylmethoxyprop-2-en-1-amine?
The InChIKey is RYUMSHRNCLBAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO4P/c1-4-12-15(20(16,18-5-2)19-6-3)17-13-14-10-8-7-9-11-14/h4,7-11H,1,5-6,12-13H2,2-3H3.
What are the key properties of N-diethoxyphosphoryl-N-phenylmethoxyprop-2-en-1-amine?
N-diethoxyphosphoryl-N-phenylmethoxyprop-2-en-1-amine has a molecular weight of 299.31 g/mol, XLogP of 3.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphoryl-N-phenylmethoxyprop-2-en-1-amine is sourced from PubChem (CID 11438010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).