(E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one

C20H23NO3 — CID 18178426

IUPAC(E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one
SMILESCCCc1ccc(OC)c(/C=C/C(=O)c2ccc(N)cc2)c1OC
InChIInChI=1S/C20H23NO3/c1-4-5-15-8-13-19(23-2)17(20(15)24-3)11-12-18(22)14-6-9-16(21)10-7-14/h6-13H,4-5,21H2,1-3H3/b12-11+
InChIKeyPBJRDZRGZBUZDI-VAWYXSNFSA-N
MW325.41 g/mol
LogP4.13
Rot. Bonds7

About (E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one

(E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one (PubChem CID 18178426) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one
PubChem CID18178426
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one
SMILESCCCc1ccc(OC)c(/C=C/C(=O)c2ccc(N)cc2)c1OC
InChIInChI=1S/C20H23NO3/c1-4-5-15-8-13-19(23-2)17(20(15)24-3)11-12-18(22)14-6-9-16(21)10-7-14/h6-13H,4-5,21H2,1-3H3/b12-11+
InChIKeyPBJRDZRGZBUZDI-VAWYXSNFSA-N
XLogP4.13
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.13
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'}

Analyze (E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminophenyl)-3-(2,6-dipropoxy-3-propylphenyl)prop-2-en-1-one
CID 54245429
3-(2,6-dipropoxy-3-propylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 54070551
4-[(E)-3-[2,6-bis[(2-methylpropan-2-yl)oxy]-3-propylphenyl]prop-2-enoyl]-N,N-dimethylbenzamide
CID 18178798
(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
CID 5351689
[4-[(E)-3-[2-(2,2-dimethylpropanoyloxy)-6-methoxy-3,5-dipropylphenyl]prop-2-enoyl]phenyl] 2,2-dimethylpropanoate
CID 18179080
(E)-1-(4-aminophenyl)-3-(2,4-dimethoxy-5-methylphenyl)prop-2-en-1-one
CID 18179134
(E)-3-(4-hydroxy-2-methoxy-3,5-dipropylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 18178979
3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
1-(4-aminophenyl)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-en-1-one
CID 54452289
3-(2,4-dimethoxy-5-propylphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 54402984
3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 169482467
1-(4-aminophenyl)-3-(3,5-ditert-butyl-2-hydroxy-6-propoxyphenyl)prop-2-en-1-one
CID 54485619

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one (CID 18178426) is (E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one is CCCc1ccc(OC)c(/C=C/C(=O)c2ccc(N)cc2)c1OC.
What is the InChIKey of (E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one?
The InChIKey is PBJRDZRGZBUZDI-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-5-15-8-13-19(23-2)17(20(15)24-3)11-12-18(22)14-6-9-16(21)10-7-14/h6-13H,4-5,21H2,1-3H3/b12-11+.
What are the key properties of (E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one?
(E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one has a molecular weight of 325.41 g/mol, XLogP of 4.13, 7 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-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one is sourced from PubChem (CID 18178426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).