(E)-3-(4-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide

C22H27FN2O2 — CID 15023572

IUPAC(E)-3-(4-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide
SMILESCOc1ccc(CCN(C)CCCNC(=O)/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C22H27FN2O2/c1-25(17-14-19-6-11-21(27-2)12-7-19)16-3-15-24-22(26)13-8-18-4-9-20(23)10-5-18/h4-13H,3,14-17H2,1-2H3,(H,24,26)/b13-8+
InChIKeyJHDNWEXXVNEUQZ-MDWZMJQESA-N
MW370.47 g/mol
LogP3.53
Rot. Bonds10

About (E)-3-(4-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide (PubChem CID 15023572) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide
PubChem CID15023572
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name(E)-3-(4-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide
SMILESCOc1ccc(CCN(C)CCCNC(=O)/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C22H27FN2O2/c1-25(17-14-19-6-11-21(27-2)12-7-19)16-3-15-24-22(26)13-8-18-4-9-20(23)10-5-18/h4-13H,3,14-17H2,1-2H3,(H,24,26)/b13-8+
InChIKeyJHDNWEXXVNEUQZ-MDWZMJQESA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(4-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide 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

(E)-3-(4-fluorophenyl)-N-[3-[2-(3-methoxyphenyl)ethyl-propan-2-ylamino]propyl]prop-2-enamide
CID 15023562
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
3-(4-cyanophenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide
CID 54096565
(E)-3-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9392326
(E)-3-(4-chlorophenyl)-N-[3-(4-fluorophenyl)propyl]prop-2-enamide
CID 99998398
3-(4-fluorophenyl)-N-[8-[3-(4-fluorophenyl)prop-2-enoylamino]octyl]prop-2-enamide
CID 5142775
4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 24705756
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
2-[4-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]phenoxy]-2-methylpropanoic acid
CID 21322660
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9210510
(E)-N-(2-chloroethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6434079
(E)-N-[3-(dimethylamino)propyl]-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110497194

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide (CID 15023572) is (E)-3-(4-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide is COc1ccc(CCN(C)CCCNC(=O)/C=C/c2ccc(F)cc2)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide?
The InChIKey is JHDNWEXXVNEUQZ-MDWZMJQESA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-25(17-14-19-6-11-21(27-2)12-7-19)16-3-15-24-22(26)13-8-18-4-9-20(23)10-5-18/h4-13H,3,14-17H2,1-2H3,(H,24,26)/b13-8+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide has a molecular weight of 370.47 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide is sourced from PubChem (CID 15023572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).