bis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium

C26H32N2O5P+ — CID 15499310

IUPACbis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium
SMILESC=CCN([C@@H](Cc1ccccc1)C(=O)OC)[P+](=O)N(CC=C)[C@@H](Cc1ccccc1)C(=O)OC
InChIInChI=1S/C26H32N2O5P/c1-5-17-27(23(25(29)32-3)19-21-13-9-7-10-14-21)34(31)28(18-6-2)24(26(30)33-4)20-22-15-11-8-12-16-22/h5-16,23-24H,1-2,17-20H2,3-4H3/q+1/t23-,24-/m0/s1
InChIKeyDAYGNGGEHOUBPD-ZEQRLZLVSA-N
MW483.53 g/mol
LogP4.19
Rot. Bonds14

About bis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium

bis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium (PubChem CID 15499310) has the molecular formula C26H32N2O5P+ and a molecular weight of 483.53 g/mol. Its IUPAC name is bis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium.

Molecular Properties

Compound Namebis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium
PubChem CID15499310
Molecular FormulaC26H32N2O5P+
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC Namebis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium
SMILESC=CCN([C@@H](Cc1ccccc1)C(=O)OC)[P+](=O)N(CC=C)[C@@H](Cc1ccccc1)C(=O)OC
InChIInChI=1S/C26H32N2O5P/c1-5-17-27(23(25(29)32-3)19-21-13-9-7-10-14-21)34(31)28(18-6-2)24(26(30)33-4)20-22-15-11-8-12-16-22/h5-16,23-24H,1-2,17-20H2,3-4H3/q+1/t23-,24-/m0/s1
InChIKeyDAYGNGGEHOUBPD-ZEQRLZLVSA-N
XLogP4.19
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[[ethenyl-[ethenyl-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]phosphoryl]oxyphosphoryl]-prop-2-enylamino]-3-phenylpropanoate
CID 10651215
2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate
CID 5325992
methyl (2S)-2-[benzyl(but-3-enyl)amino]-3-phenylpropanoate
CID 59990290
methyl 3-phenyl-2-(prop-2-enylcarbamoylamino)propanoate
CID 4255047
methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate
CID 11781471
methyl 2-[formyl-[6-[formyl-(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-pyridinyl]amino]-3-phenylpropanoate
CID 91472944
methyl 2-(dibenzylamino)-3-[4-[(dibenzylamino)methyl]phenyl]propanoate
CID 134946688
2-[methyl(prop-2-enoxycarbonyl)amino]-3-phenylpropanoic acid
CID 22065908
methyl 2-benzyl-3-oxobutanoate
CID 10679785
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-enyl]amino]-3-phenylpropanoate
CID 15499312
methyl 2-methyl-3-phenylpropanoate
CID 11105919
prop-2-enyl 2-(dibenzylamino)-3-phenylpropanoate
CID 86226011

Frequently Asked Questions

What is the IUPAC name of bis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium?
The IUPAC name of bis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium (CID 15499310) is bis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium.
What is the SMILES notation for bis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium?
The canonical SMILES for bis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium is C=CCN([C@@H](Cc1ccccc1)C(=O)OC)[P+](=O)N(CC=C)[C@@H](Cc1ccccc1)C(=O)OC.
What is the InChIKey of bis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium?
The InChIKey is DAYGNGGEHOUBPD-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H32N2O5P/c1-5-17-27(23(25(29)32-3)19-21-13-9-7-10-14-21)34(31)28(18-6-2)24(26(30)33-4)20-22-15-11-8-12-16-22/h5-16,23-24H,1-2,17-20H2,3-4H3/q+1/t23-,24-/m0/s1.
What are the key properties of bis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium?
bis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium has a molecular weight of 483.53 g/mol, XLogP of 4.19, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium is sourced from PubChem (CID 15499310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).