(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide

C21H23N3O3 — CID 18077818

IUPAC(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C21H23N3O3/c1-3-24(21(27)14-9-17-7-5-4-6-8-17)15-20(26)23-19-12-10-18(11-13-19)22-16(2)25/h4-14H,3,15H2,1-2H3,(H,22,25)(H,23,26)/b14-9+
InChIKeyHXEJRYWOSXWQAU-NTEUORMPSA-N
MW365.43 g/mol
LogP3.15
Rot. Bonds7

About (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide

(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide (PubChem CID 18077818) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
PubChem CID18077818
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C21H23N3O3/c1-3-24(21(27)14-9-17-7-5-4-6-8-17)15-20(26)23-19-12-10-18(11-13-19)22-16(2)25/h4-14H,3,15H2,1-2H3,(H,22,25)(H,23,26)/b14-9+
InChIKeyHXEJRYWOSXWQAU-NTEUORMPSA-N
XLogP3.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
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-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 25163178
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylbenzamide
CID 18077820
(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
CID 8960410
(E)-3-(3-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylprop-2-enamide
CID 55453994
(E)-N-(2-anilino-2-oxoethyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 46425147
(E)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 26356752
(E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide
CID 46554937
N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
CID 4587855
(E)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 34169666
(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-ethylprop-2-enamide
CID 25163747
2-[ethyl-[3-(4-hydroxyphenyl)prop-2-enoyl]amino]acetic acid
CID 76865238
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide (CID 18077818) is (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide?
The InChIKey is HXEJRYWOSXWQAU-NTEUORMPSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-24(21(27)14-9-17-7-5-4-6-8-17)15-20(26)23-19-12-10-18(11-13-19)22-16(2)25/h4-14H,3,15H2,1-2H3,(H,22,25)(H,23,26)/b14-9+.
What are the key properties of (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide?
(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide has a molecular weight of 365.43 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide is sourced from PubChem (CID 18077818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).