(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide

C22H28N2O2 — CID 15983690

IUPAC(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC(CCN(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-17-5-10-19(11-6-17)21(15-16-24(2)3)23-22(25)14-9-18-7-12-20(26-4)13-8-18/h5-14,21H,15-16H2,1-4H3,(H,23,25)/b14-9+
InChIKeyYBQWCMCDTYWMNO-NTEUORMPSA-N
MW352.48 g/mol
LogP3.83
Rot. Bonds8

About (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 15983690) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID15983690
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC(CCN(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-17-5-10-19(11-6-17)21(15-16-24(2)3)23-22(25)14-9-18-7-12-20(26-4)13-8-18/h5-14,21H,15-16H2,1-4H3,(H,23,25)/b14-9+
InChIKeyYBQWCMCDTYWMNO-NTEUORMPSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 15983690) is (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NC(CCN(C)C)c2ccc(C)cc2)cc1.
What is the InChIKey of (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is YBQWCMCDTYWMNO-NTEUORMPSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-5-10-19(11-6-17)21(15-16-24(2)3)23-22(25)14-9-18-7-12-20(26-4)13-8-18/h5-14,21H,15-16H2,1-4H3,(H,23,25)/b14-9+.
What are the key properties of (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 352.48 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 15983690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).