potassium (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3-phenylpropanoate

C19H18KNO3 — CID 127037387

IUPACpotassium (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3-phenylpropanoate
SMILESCOc1ccc(/C=C/C=N/[C@@H](Cc2ccccc2)C(=O)[O-])cc1.[K+]
InChIInChI=1S/C19H19NO3.K/c1-23-17-11-9-15(10-12-17)8-5-13-20-18(19(21)22)14-16-6-3-2-4-7-16;/h2-13,18H,14H2,1H3,(H,21,22);/q;+1/p-1/b8-5+,20-13+;/t18-;/m0./s1
InChIKeyZZYMGIABPDDJAC-UHCBMESASA-M
MW347.46 g/mol
LogP-0.86
Rot. Bonds7

About potassium (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3-phenylpropanoate

potassium (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3-phenylpropanoate (PubChem CID 127037387) has the molecular formula C19H18KNO3 and a molecular weight of 347.46 g/mol. Its IUPAC name is potassium (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepotassium (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3-phenylpropanoate
PubChem CID127037387
Molecular FormulaC19H18KNO3
Molecular Weight347.46 g/mol
Exact Mass347.09
IUPAC Namepotassium (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3-phenylpropanoate
SMILESCOc1ccc(/C=C/C=N/[C@@H](Cc2ccccc2)C(=O)[O-])cc1.[K+]
InChIInChI=1S/C19H19NO3.K/c1-23-17-11-9-15(10-12-17)8-5-13-20-18(19(21)22)14-16-6-3-2-4-7-16;/h2-13,18H,14H2,1H3,(H,21,22);/q;+1/p-1/b8-5+,20-13+;/t18-;/m0./s1
InChIKeyZZYMGIABPDDJAC-UHCBMESASA-M
XLogP-0.86
TPSA61.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

potassium (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]propanoate
CID 127036372
potassium (2S)-2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]-3-(4-hydroxyphenyl)propanoate
CID 127036373
methyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]butanoate
CID 24752690
(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide
CID 757128
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
CID 153316064
(E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 162400827
1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene
CID 162401202
methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate
CID 90120952
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 95560671

Frequently Asked Questions

What is the IUPAC name of potassium (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3-phenylpropanoate?
The IUPAC name of potassium (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3-phenylpropanoate (CID 127037387) is potassium (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3-phenylpropanoate.
What is the SMILES notation for potassium (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3-phenylpropanoate?
The canonical SMILES for potassium (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3-phenylpropanoate is COc1ccc(/C=C/C=N/[C@@H](Cc2ccccc2)C(=O)[O-])cc1.[K+].
What is the InChIKey of potassium (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3-phenylpropanoate?
The InChIKey is ZZYMGIABPDDJAC-UHCBMESASA-M. The full InChI is InChI=1S/C19H19NO3.K/c1-23-17-11-9-15(10-12-17)8-5-13-20-18(19(21)22)14-16-6-3-2-4-7-16;/h2-13,18H,14H2,1H3,(H,21,22);/q;+1/p-1/b8-5+,20-13+;/t18-;/m0./s1.
What are the key properties of potassium (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3-phenylpropanoate?
potassium (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3-phenylpropanoate has a molecular weight of 347.46 g/mol, XLogP of -0.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3-phenylpropanoate is sourced from PubChem (CID 127037387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).