(E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide

C21H26N2O2 — CID 43008492

IUPAC(E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-25-20-13-8-7-10-18(20)14-15-21(24)22-16-9-17-23(2)19-11-5-4-6-12-19/h4-8,10-15H,3,9,16-17H2,1-2H3,(H,22,24)/b15-14+
InChIKeyXEWOHAGVLKKFDK-CCEZHUSRSA-N
MW338.45 g/mol
LogP3.74
Rot. Bonds9

About (E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide

(E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide (PubChem CID 43008492) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
PubChem CID43008492
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-25-20-13-8-7-10-18(20)14-15-21(24)22-16-9-17-23(2)19-11-5-4-6-12-19/h4-8,10-15H,3,9,16-17H2,1-2H3,(H,22,24)/b15-14+
InChIKeyXEWOHAGVLKKFDK-CCEZHUSRSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.74
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'}

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Related Compounds

(E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 99996150
(E)-3-(2,4-dimethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 37315728
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 9480960
4-[[(E)-3-(2-propoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 53264049
(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 9366008
(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide
CID 115612707
(E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 32969540
1-[[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449820
3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 76872157
(E)-N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)prop-2-enamide
CID 90264801
(E)-3-(2-ethoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 51181845

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide (CID 43008492) is (E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide is CCOc1ccccc1/C=C/C(=O)NCCCN(C)c1ccccc1.
What is the InChIKey of (E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide?
The InChIKey is XEWOHAGVLKKFDK-CCEZHUSRSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-25-20-13-8-7-10-18(20)14-15-21(24)22-16-9-17-23(2)19-11-5-4-6-12-19/h4-8,10-15H,3,9,16-17H2,1-2H3,(H,22,24)/b15-14+.
What are the key properties of (E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide?
(E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide has a molecular weight of 338.45 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide is sourced from PubChem (CID 43008492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).