N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide

C36H32N4O4 — CID 92982413

IUPACN-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C\c1ccccc1)C(=O)N1CCN(C(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C36H32N4O4/c41-33(29-17-9-3-10-18-29)37-31(25-27-13-5-1-6-14-27)35(43)39-21-23-40(24-22-39)36(44)32(26-28-15-7-2-8-16-28)38-34(42)30-19-11-4-12-20-30/h1-20,25-26H,21-24H2,(H,37,41)(H,38,42)/b31-25-,32-26-
InChIKeyLBYIEKZCITVZMY-WVMMTVHUSA-N
MW584.68 g/mol
LogP4.60
Rot. Bonds8

About N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide

N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide (PubChem CID 92982413) has the molecular formula C36H32N4O4 and a molecular weight of 584.68 g/mol. Its IUPAC name is N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
PubChem CID92982413
Molecular FormulaC36H32N4O4
Molecular Weight584.68 g/mol
Exact Mass584.24
IUPAC NameN-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C\c1ccccc1)C(=O)N1CCN(C(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C36H32N4O4/c41-33(29-17-9-3-10-18-29)37-31(25-27-13-5-1-6-14-27)35(43)39-21-23-40(24-22-39)36(44)32(26-28-15-7-2-8-16-28)38-34(42)30-19-11-4-12-20-30/h1-20,25-26H,21-24H2,(H,37,41)(H,38,42)/b31-25-,32-26-
InChIKeyLBYIEKZCITVZMY-WVMMTVHUSA-N
XLogP4.60
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.68
LogP ≤ 54.60
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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide (CID 92982413) is N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is O=C(N/C(=C\c1ccccc1)C(=O)N1CCN(C(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The InChIKey is LBYIEKZCITVZMY-WVMMTVHUSA-N. The full InChI is InChI=1S/C36H32N4O4/c41-33(29-17-9-3-10-18-29)37-31(25-27-13-5-1-6-14-27)35(43)39-21-23-40(24-22-39)36(44)32(26-28-15-7-2-8-16-28)38-34(42)30-19-11-4-12-20-30/h1-20,25-26H,21-24H2,(H,37,41)(H,38,42)/b31-25-,32-26-.
What are the key properties of N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide has a molecular weight of 584.68 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 92982413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).