(E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one

C17H17NO3 — CID 22786808

IUPAC(E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccc(N)cc2)cc1OC
InChIInChI=1S/C17H17NO3/c1-20-16-10-4-12(11-17(16)21-2)3-9-15(19)13-5-7-14(18)8-6-13/h3-11H,18H2,1-2H3/b9-3+
InChIKeyQKPHRSWFCYOYQF-YCRREMRBSA-N
MW283.33 g/mol
LogP3.18
Rot. Bonds5

About (E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one

(E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one (PubChem CID 22786808) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
PubChem CID22786808
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccc(N)cc2)cc1OC
InChIInChI=1S/C17H17NO3/c1-20-16-10-4-12(11-17(16)21-2)3-9-15(19)13-5-7-14(18)8-6-13/h3-11H,18H2,1-2H3/b9-3+
InChIKeyQKPHRSWFCYOYQF-YCRREMRBSA-N
XLogP3.18
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Dimethylamino-3',4'-dimethoxychalcone
CID 6156423
2-Methoxy-4-(2-propen-1-yl)phenyl 4-((aminoiminomethyl)amino)benzoate
CID 55907
4-(3,4-Dimethoxyphenethyl)aniline
CID 14256024
3,4-Dimethoxy-4''-amino-trans-stilbene
CID 49799648
2-ethoxyethyl 4-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoate
CID 1553954
N-[4-(3-Methoxy-benzoyl)-phenyl]-butyramide
CID 9817692
(E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 10286758
(2E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 10615085
(2-Aminophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10880697
3-(3,4,5-Trimethoxybenzoyl)aniline
CID 11748175
(E)-1-(3-aminophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 44389058
(E)-3-(4-aminophenyl)-1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]prop-2-en-1-one
CID 44482042

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one (CID 22786808) is (E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2ccc(N)cc2)cc1OC.
What is the InChIKey of (E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one?
The InChIKey is QKPHRSWFCYOYQF-YCRREMRBSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-16-10-4-12(11-17(16)21-2)3-9-15(19)13-5-7-14(18)8-6-13/h3-11H,18H2,1-2H3/b9-3+.
What are the key properties of (E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one?
(E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one has a molecular weight of 283.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 22786808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).