(E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide

C19H20ClNO3 — CID 8780190

IUPAC(E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)Nc2ccc(Cl)cc2C)ccc1OC
InChIInChI=1S/C19H20ClNO3/c1-4-24-18-12-14(5-9-17(18)23-3)6-10-19(22)21-16-8-7-15(20)11-13(16)2/h5-12H,4H2,1-3H3,(H,21,22)/b10-6+
InChIKeyAITJGBMYCZGPAD-UXBLZVDNSA-N
MW345.83 g/mol
LogP4.71
Rot. Bonds6

About (E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide

(E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide (PubChem CID 8780190) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is (E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
PubChem CID8780190
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name(E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)Nc2ccc(Cl)cc2C)ccc1OC
InChIInChI=1S/C19H20ClNO3/c1-4-24-18-12-14(5-9-17(18)23-3)6-10-19(22)21-16-8-7-15(20)11-13(16)2/h5-12H,4H2,1-3H3,(H,21,22)/b10-6+
InChIKeyAITJGBMYCZGPAD-UXBLZVDNSA-N
XLogP4.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.71
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)-N-(4-bromo-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 9410498
4-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]-3-methylbenzoic acid
CID 45383023
N-(2-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 103598924
methyl 4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-methylbenzoate
CID 35249748
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 2071575
(E)-N-(3-chloro-4-methoxyphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5449139
N-(2-acetamido-5-chlorophenyl)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enamide
CID 76878434
3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 2788733
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732824
N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5073679
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 51161619

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide (CID 8780190) is (E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide is CCOc1cc(/C=C/C(=O)Nc2ccc(Cl)cc2C)ccc1OC.
What is the InChIKey of (E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide?
The InChIKey is AITJGBMYCZGPAD-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-4-24-18-12-14(5-9-17(18)23-3)6-10-19(22)21-16-8-7-15(20)11-13(16)2/h5-12H,4H2,1-3H3,(H,21,22)/b10-6+.
What are the key properties of (E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide?
(E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide has a molecular weight of 345.83 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 8780190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).