N-[2-[phenyl(prop-2-enyl)phosphanyl]acetyl]-N-prop-2-enylprop-2-en-1-amine oxide

C17H22NO2P — CID 87995424

IUPACN-[2-[phenyl(prop-2-enyl)phosphanyl]acetyl]-N-prop-2-enylprop-2-en-1-amine oxide
SMILESC=CCP(CC(=O)[N+]([O-])(CC=C)CC=C)c1ccccc1
InChIInChI=1S/C17H22NO2P/c1-4-12-18(20,13-5-2)17(19)15-21(14-6-3)16-10-8-7-9-11-16/h4-11H,1-3,12-15H2
InChIKeyFOAKQDXTANWVMR-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.19
Rot. Bonds9

About N-[2-[phenyl(prop-2-enyl)phosphanyl]acetyl]-N-prop-2-enylprop-2-en-1-amine oxide

N-[2-[phenyl(prop-2-enyl)phosphanyl]acetyl]-N-prop-2-enylprop-2-en-1-amine oxide (PubChem CID 87995424) has the molecular formula C17H22NO2P and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[2-[phenyl(prop-2-enyl)phosphanyl]acetyl]-N-prop-2-enylprop-2-en-1-amine oxide.

Molecular Properties

Compound NameN-[2-[phenyl(prop-2-enyl)phosphanyl]acetyl]-N-prop-2-enylprop-2-en-1-amine oxide
PubChem CID87995424
Molecular FormulaC17H22NO2P
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-[2-[phenyl(prop-2-enyl)phosphanyl]acetyl]-N-prop-2-enylprop-2-en-1-amine oxide
SMILESC=CCP(CC(=O)[N+]([O-])(CC=C)CC=C)c1ccccc1
InChIInChI=1S/C17H22NO2P/c1-4-12-18(20,13-5-2)17(19)15-21(14-6-3)16-10-8-7-9-11-16/h4-11H,1-3,12-15H2
InChIKeyFOAKQDXTANWVMR-UHFFFAOYSA-N
XLogP3.19
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

triphenylphosphane;tris(prop-2-enyl)phosphane
CID 175264539
2-[carboxymethyl(phenyl)phosphanyl]acetic acid
CID 14029592
dimethyl-phenyl-prop-2-enylazanium acetate
CID 163299639
(2,2-dichloroacetyl)-phenyl-bis(prop-2-enyl)azanium
CID 54145091
triphenyl(prop-2-enyl)azanium chloride
CID 68811649
2-carboxyphenolate;trimethyl(prop-2-enyl)azanium
CID 70450706
bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane)
CID 173130885
3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol
CID 14871357
tris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane
CID 173386840
bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+)
CID 139239630
(S)-methyl-phenyl-propan-2-yl-prop-2-enylazanium
CID 163299620
prop-2-enoic acid;styrene
CID 160851252

Frequently Asked Questions

What is the IUPAC name of N-[2-[phenyl(prop-2-enyl)phosphanyl]acetyl]-N-prop-2-enylprop-2-en-1-amine oxide?
The IUPAC name of N-[2-[phenyl(prop-2-enyl)phosphanyl]acetyl]-N-prop-2-enylprop-2-en-1-amine oxide (CID 87995424) is N-[2-[phenyl(prop-2-enyl)phosphanyl]acetyl]-N-prop-2-enylprop-2-en-1-amine oxide.
What is the SMILES notation for N-[2-[phenyl(prop-2-enyl)phosphanyl]acetyl]-N-prop-2-enylprop-2-en-1-amine oxide?
The canonical SMILES for N-[2-[phenyl(prop-2-enyl)phosphanyl]acetyl]-N-prop-2-enylprop-2-en-1-amine oxide is C=CCP(CC(=O)[N+]([O-])(CC=C)CC=C)c1ccccc1.
What is the InChIKey of N-[2-[phenyl(prop-2-enyl)phosphanyl]acetyl]-N-prop-2-enylprop-2-en-1-amine oxide?
The InChIKey is FOAKQDXTANWVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22NO2P/c1-4-12-18(20,13-5-2)17(19)15-21(14-6-3)16-10-8-7-9-11-16/h4-11H,1-3,12-15H2.
What are the key properties of N-[2-[phenyl(prop-2-enyl)phosphanyl]acetyl]-N-prop-2-enylprop-2-en-1-amine oxide?
N-[2-[phenyl(prop-2-enyl)phosphanyl]acetyl]-N-prop-2-enylprop-2-en-1-amine oxide has a molecular weight of 303.34 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[phenyl(prop-2-enyl)phosphanyl]acetyl]-N-prop-2-enylprop-2-en-1-amine oxide is sourced from PubChem (CID 87995424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).