(E)-1-dimethoxyphosphoryl-3-phenyl-N-prop-2-enylprop-2-en-1-amine

C14H20NO3P — CID 11616138

IUPAC(E)-1-dimethoxyphosphoryl-3-phenyl-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNC(/C=C/c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C14H20NO3P/c1-4-12-15-14(19(16,17-2)18-3)11-10-13-8-6-5-7-9-13/h4-11,14-15H,1,12H2,2-3H3/b11-10+
InChIKeyBYNUNXHJRPMYRM-ZHACJKMWSA-N
MW281.29 g/mol
LogP3.29
Rot. Bonds8

About (E)-1-dimethoxyphosphoryl-3-phenyl-N-prop-2-enylprop-2-en-1-amine

(E)-1-dimethoxyphosphoryl-3-phenyl-N-prop-2-enylprop-2-en-1-amine (PubChem CID 11616138) has the molecular formula C14H20NO3P and a molecular weight of 281.29 g/mol. Its IUPAC name is (E)-1-dimethoxyphosphoryl-3-phenyl-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-1-dimethoxyphosphoryl-3-phenyl-N-prop-2-enylprop-2-en-1-amine
PubChem CID11616138
Molecular FormulaC14H20NO3P
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC Name(E)-1-dimethoxyphosphoryl-3-phenyl-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNC(/C=C/c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C14H20NO3P/c1-4-12-15-14(19(16,17-2)18-3)11-10-13-8-6-5-7-9-13/h4-11,14-15H,1,12H2,2-3H3/b11-10+
InChIKeyBYNUNXHJRPMYRM-ZHACJKMWSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate
CID 71682922
N-benzyl-N-[(E)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl]-2-methylprop-2-en-1-amine
CID 11581796
prop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate
CID 67624373
tert-butyl (2S)-3-phenyl-2-(prop-2-enylamino)propanoate
CID 102580746
[(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene
CID 24895615
methyl 2-phenyl-2-(prop-2-enylamino)acetate
CID 21300031
1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 71366492
(E,1S)-1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 12543687
prop-2-enyl (E,3R)-2-acetyl-3-(methoxycarbonylamino)-5-phenylpent-4-enoate
CID 102186140
N-(2-phenylethenyl)prop-2-en-1-amine
CID 66696805
ethyl 3-phenyl-2-(prop-2-enylamino)propanoate
CID 55063338
2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene
CID 154205626

Frequently Asked Questions

What is the IUPAC name of (E)-1-dimethoxyphosphoryl-3-phenyl-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of (E)-1-dimethoxyphosphoryl-3-phenyl-N-prop-2-enylprop-2-en-1-amine (CID 11616138) is (E)-1-dimethoxyphosphoryl-3-phenyl-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for (E)-1-dimethoxyphosphoryl-3-phenyl-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for (E)-1-dimethoxyphosphoryl-3-phenyl-N-prop-2-enylprop-2-en-1-amine is C=CCNC(/C=C/c1ccccc1)P(=O)(OC)OC.
What is the InChIKey of (E)-1-dimethoxyphosphoryl-3-phenyl-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is BYNUNXHJRPMYRM-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H20NO3P/c1-4-12-15-14(19(16,17-2)18-3)11-10-13-8-6-5-7-9-13/h4-11,14-15H,1,12H2,2-3H3/b11-10+.
What are the key properties of (E)-1-dimethoxyphosphoryl-3-phenyl-N-prop-2-enylprop-2-en-1-amine?
(E)-1-dimethoxyphosphoryl-3-phenyl-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 281.29 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-dimethoxyphosphoryl-3-phenyl-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 11616138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).