(E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide

C18H19NO2 — CID 9341691

IUPAC(E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)Nc1cccc(C)c1
InChIInChI=1S/C18H19NO2/c1-3-21-17-10-5-4-8-15(17)11-12-18(20)19-16-9-6-7-14(2)13-16/h4-13H,3H2,1-2H3,(H,19,20)/b12-11+
InChIKeyFLGQNLKQVIHCMU-VAWYXSNFSA-N
MW281.36 g/mol
LogP4.05
Rot. Bonds5

About (E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide

(E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide (PubChem CID 9341691) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
PubChem CID9341691
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)Nc1cccc(C)c1
InChIInChI=1S/C18H19NO2/c1-3-21-17-10-5-4-8-15(17)11-12-18(20)19-16-9-6-7-14(2)13-16/h4-13H,3H2,1-2H3,(H,19,20)/b12-11+
InChIKeyFLGQNLKQVIHCMU-VAWYXSNFSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 9165751
N-[3-(3-cyanopropoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 75841576
4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 45426859
N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278423
(E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 51158911
(E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide
CID 26901654
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 75997090
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 9341499
3-(2-butoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 5000698
(E)-N-[(3-ethoxyphenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 17098369
(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-ethoxyphenyl)prop-2-enehydrazide
CID 26845882

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide (CID 9341691) is (E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide is CCOc1ccccc1/C=C/C(=O)Nc1cccc(C)c1.
What is the InChIKey of (E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide?
The InChIKey is FLGQNLKQVIHCMU-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-21-17-10-5-4-8-15(17)11-12-18(20)19-16-9-6-7-14(2)13-16/h4-13H,3H2,1-2H3,(H,19,20)/b12-11+.
What are the key properties of (E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide?
(E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 9341691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).