N-[(Z)-3-(2-morpholin-4-ylethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

C22H25N3O3 — CID 2873163

IUPACN-[(Z)-3-(2-morpholin-4-ylethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESO=C(NCCN1CCOCC1)/C(=C/c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H25N3O3/c26-21(19-9-5-2-6-10-19)24-20(17-18-7-3-1-4-8-18)22(27)23-11-12-25-13-15-28-16-14-25/h1-10,17H,11-16H2,(H,23,27)(H,24,26)/b20-17-
InChIKeyXYSWSCBQFFAFRD-JZJYNLBNSA-N
MW379.46 g/mol
LogP1.91
Rot. Bonds7

About N-[(Z)-3-(2-morpholin-4-ylethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

N-[(Z)-3-(2-morpholin-4-ylethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide (PubChem CID 2873163) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(Z)-3-(2-morpholin-4-ylethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-(2-morpholin-4-ylethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
PubChem CID2873163
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(Z)-3-(2-morpholin-4-ylethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESO=C(NCCN1CCOCC1)/C(=C/c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H25N3O3/c26-21(19-9-5-2-6-10-19)24-20(17-18-7-3-1-4-8-18)22(27)23-11-12-25-13-15-28-16-14-25/h1-10,17H,11-16H2,(H,23,27)(H,24,26)/b20-17-
InChIKeyXYSWSCBQFFAFRD-JZJYNLBNSA-N
XLogP1.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.91
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(2-morpholin-4-ylethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-(2-morpholin-4-ylethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide (CID 2873163) is N-[(Z)-3-(2-morpholin-4-ylethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-(2-morpholin-4-ylethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-(2-morpholin-4-ylethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is O=C(NCCN1CCOCC1)/C(=C/c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-3-(2-morpholin-4-ylethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The InChIKey is XYSWSCBQFFAFRD-JZJYNLBNSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-21(19-9-5-2-6-10-19)24-20(17-18-7-3-1-4-8-18)22(27)23-11-12-25-13-15-28-16-14-25/h1-10,17H,11-16H2,(H,23,27)(H,24,26)/b20-17-.
What are the key properties of N-[(Z)-3-(2-morpholin-4-ylethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
N-[(Z)-3-(2-morpholin-4-ylethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(2-morpholin-4-ylethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 2873163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).