(2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one

C18H17NO2 — CID 46223650

IUPAC(2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
SMILESCOc1ccc(/C=C/C=C(\N)C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17NO2/c1-21-16-12-10-14(11-13-16)6-5-9-17(19)18(20)15-7-3-2-4-8-15/h2-13H,19H2,1H3/b6-5+,17-9-
InChIKeyQLLOPWQTJOOALY-BJWDXFJESA-N
MW279.34 g/mol
LogP3.43
Rot. Bonds5

About (2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one

(2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one (PubChem CID 46223650) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
PubChem CID46223650
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
SMILESCOc1ccc(/C=C/C=C(\N)C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17NO2/c1-21-16-12-10-14(11-13-16)6-5-9-17(19)18(20)15-7-3-2-4-8-15/h2-13H,19H2,1H3/b6-5+,17-9-
InChIKeyQLLOPWQTJOOALY-BJWDXFJESA-N
XLogP3.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
[(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 19289952
1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
CID 53491376
1-methoxy-4-[(1E)-4-methylpenta-1,3-dienyl]benzene
CID 10965272
[(1E,3E)-1,4-bis(4-methoxyphenyl)buta-1,3-dienyl] acetate
CID 100938634
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
(4-benzoylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 43910920
2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile
CID 3317052
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
CID 51521387
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
(E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,3-dione
CID 1269921

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one?
The IUPAC name of (2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one (CID 46223650) is (2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one?
The canonical SMILES for (2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one is COc1ccc(/C=C/C=C(\N)C(=O)c2ccccc2)cc1.
What is the InChIKey of (2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one?
The InChIKey is QLLOPWQTJOOALY-BJWDXFJESA-N. The full InChI is InChI=1S/C18H17NO2/c1-21-16-12-10-14(11-13-16)6-5-9-17(19)18(20)15-7-3-2-4-8-15/h2-13H,19H2,1H3/b6-5+,17-9-.
What are the key properties of (2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one?
(2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one has a molecular weight of 279.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 46223650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).