(E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide

C23H27NO4 — CID 2071597

IUPAC(E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide
SMILESCCCCOc1ccc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)cc1OCC
InChIInChI=1S/C23H27NO4/c1-4-6-14-28-21-12-10-18(15-22(21)27-5-2)11-13-23(26)24-20-9-7-8-19(16-20)17(3)25/h7-13,15-16H,4-6,14H2,1-3H3,(H,24,26)/b13-11+
InChIKeyHTTUVFNNKOUPMR-ACCUITESSA-N
MW381.47 g/mol
LogP5.12
Rot. Bonds10

About (E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide

(E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide (PubChem CID 2071597) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is (E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide
PubChem CID2071597
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide
SMILESCCCCOc1ccc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)cc1OCC
InChIInChI=1S/C23H27NO4/c1-4-6-14-28-21-12-10-18(15-22(21)27-5-2)11-13-23(26)24-20-9-7-8-19(16-20)17(3)25/h7-13,15-16H,4-6,14H2,1-3H3,(H,24,26)/b13-11+
InChIKeyHTTUVFNNKOUPMR-ACCUITESSA-N
XLogP5.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.47
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-butoxy-3-ethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 2071503
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 2071581
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534909
(E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 797467
3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51152920
propyl 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzoate
CID 3431507
pentyl 4-[[(E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19236800
ethyl 3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 9228215
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 2071589
3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32849699
N-[4-[[(E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19236857
(E)-N-(3-ethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 60533788

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide (CID 2071597) is (E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide is CCCCOc1ccc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)cc1OCC.
What is the InChIKey of (E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide?
The InChIKey is HTTUVFNNKOUPMR-ACCUITESSA-N. The full InChI is InChI=1S/C23H27NO4/c1-4-6-14-28-21-12-10-18(15-22(21)27-5-2)11-13-23(26)24-20-9-7-8-19(16-20)17(3)25/h7-13,15-16H,4-6,14H2,1-3H3,(H,24,26)/b13-11+.
What are the key properties of (E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide?
(E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide has a molecular weight of 381.47 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2071597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).