4-[(E)-3-[2-(4-ethylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide

C23H28N4O2 — CID 134002758

IUPAC4-[(E)-3-[2-(4-ethylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
SMILESCCN1CCN(c2ccccc2NC(=O)/C=C/c2ccc(C(=O)NC)cc2)CC1
InChIInChI=1S/C23H28N4O2/c1-3-26-14-16-27(17-15-26)21-7-5-4-6-20(21)25-22(28)13-10-18-8-11-19(12-9-18)23(29)24-2/h4-13H,3,14-17H2,1-2H3,(H,24,29)(H,25,28)/b13-10+
InChIKeyNJWWMNSQOJOZGG-JLHYYAGUSA-N
MW392.50 g/mol
LogP2.84
Rot. Bonds6

About 4-[(E)-3-[2-(4-ethylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide

4-[(E)-3-[2-(4-ethylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide (PubChem CID 134002758) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[(E)-3-[2-(4-ethylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(E)-3-[2-(4-ethylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
PubChem CID134002758
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-[(E)-3-[2-(4-ethylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
SMILESCCN1CCN(c2ccccc2NC(=O)/C=C/c2ccc(C(=O)NC)cc2)CC1
InChIInChI=1S/C23H28N4O2/c1-3-26-14-16-27(17-15-26)21-7-5-4-6-20(21)25-22(28)13-10-18-8-11-19(12-9-18)23(29)24-2/h4-13H,3,14-17H2,1-2H3,(H,24,29)(H,25,28)/b13-10+
InChIKeyNJWWMNSQOJOZGG-JLHYYAGUSA-N
XLogP2.84
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 55560107
(E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 39737964
(E)-3-(4-butoxy-3-methoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
CID 46534246
(E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 18190173
N-cyclopropyl-4-[(E)-3-oxo-3-(2-piperidin-1-ylanilino)prop-1-enyl]benzamide
CID 46604384
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide
CID 71964937
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
(E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 26520222
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
4-[(E)-3-(2,3-dimethylanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061980
N-methyl-4-[(E)-3-oxo-3-[2-(propan-2-ylcarbamoylamino)anilino]prop-1-enyl]benzamide
CID 98906428
(Z)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-3-phenylprop-2-enamide
CID 20833523

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[2-(4-ethylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide?
The IUPAC name of 4-[(E)-3-[2-(4-ethylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide (CID 134002758) is 4-[(E)-3-[2-(4-ethylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(E)-3-[2-(4-ethylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide?
The canonical SMILES for 4-[(E)-3-[2-(4-ethylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide is CCN1CCN(c2ccccc2NC(=O)/C=C/c2ccc(C(=O)NC)cc2)CC1.
What is the InChIKey of 4-[(E)-3-[2-(4-ethylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide?
The InChIKey is NJWWMNSQOJOZGG-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-3-26-14-16-27(17-15-26)21-7-5-4-6-20(21)25-22(28)13-10-18-8-11-19(12-9-18)23(29)24-2/h4-13H,3,14-17H2,1-2H3,(H,24,29)(H,25,28)/b13-10+.
What are the key properties of 4-[(E)-3-[2-(4-ethylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide?
4-[(E)-3-[2-(4-ethylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide has a molecular weight of 392.50 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[2-(4-ethylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide is sourced from PubChem (CID 134002758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).