3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide

C14H18ClNO3 — CID 75266195

IUPAC3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)C=Cc1cc(Cl)c(OC)c(OCC)c1
InChIInChI=1S/C14H18ClNO3/c1-4-16-13(17)7-6-10-8-11(15)14(18-3)12(9-10)19-5-2/h6-9H,4-5H2,1-3H3,(H,16,17)
InChIKeyACQBWOZPXFOUCD-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.90
Rot. Bonds6

About 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide

3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide (PubChem CID 75266195) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide
PubChem CID75266195
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)C=Cc1cc(Cl)c(OC)c(OCC)c1
InChIInChI=1S/C14H18ClNO3/c1-4-16-13(17)7-6-10-8-11(15)14(18-3)12(9-10)19-5-2/h6-9H,4-5H2,1-3H3,(H,16,17)
InChIKeyACQBWOZPXFOUCD-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide
CID 9224667
[2-(ethylamino)-2-oxoethyl] (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 2498346
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-cyclopentylprop-2-enamide
CID 9213962
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-pentan-2-ylprop-2-enamide
CID 42979719
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[(6-chloro-3-pyridinyl)methyl]prop-2-enamide
CID 60532410
N-[2-[3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoylamino]ethyl]-4-methoxybenzamide
CID 55878943
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[(3-ethoxyphenyl)methyl]prop-2-enamide
CID 98812251
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9391700
(2S)-2-[[(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide
CID 8733858
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(2,6-diethylphenyl)prop-2-enamide
CID 26880303
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]prop-2-enamide
CID 34557638
(E)-N-(3-acetamidophenyl)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 26103186

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide?
The IUPAC name of 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide (CID 75266195) is 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide.
What is the SMILES notation for 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide?
The canonical SMILES for 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide is CCNC(=O)C=Cc1cc(Cl)c(OC)c(OCC)c1.
What is the InChIKey of 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide?
The InChIKey is ACQBWOZPXFOUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-4-16-13(17)7-6-10-8-11(15)14(18-3)12(9-10)19-5-2/h6-9H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide?
3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide has a molecular weight of 283.75 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 75266195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).