(E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

C19H21NO5 — CID 10286758

IUPAC(E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H21NO5/c1-22-16-8-6-12(9-14(16)20)5-7-15(21)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-11H,20H2,1-4H3/b7-5+
InChIKeyPGAJMSRLYVWIPH-FNORWQNLSA-N
MW343.38 g/mol
LogP3.20
Rot. Bonds7

About (E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

(E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 10286758) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is (E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
PubChem CID10286758
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name(E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H21NO5/c1-22-16-8-6-12(9-14(16)20)5-7-15(21)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-11H,20H2,1-4H3/b7-5+
InChIKeyPGAJMSRLYVWIPH-FNORWQNLSA-N
XLogP3.20
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (CID 10286758) is (E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1N.
What is the InChIKey of (E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is PGAJMSRLYVWIPH-FNORWQNLSA-N. The full InChI is InChI=1S/C19H21NO5/c1-22-16-8-6-12(9-14(16)20)5-7-15(21)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-11H,20H2,1-4H3/b7-5+.
What are the key properties of (E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
(E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 343.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 10286758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).