(Z)-4-(2-morpholin-4-ylanilino)-4-oxo-3-phenylbut-2-enoate

C20H19N2O4- — CID 1236346

IUPAC(Z)-4-(2-morpholin-4-ylanilino)-4-oxo-3-phenylbut-2-enoate
SMILESO=C([O-])/C=C(\C(=O)Nc1ccccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C20H20N2O4/c23-19(24)14-16(15-6-2-1-3-7-15)20(25)21-17-8-4-5-9-18(17)22-10-12-26-13-11-22/h1-9,14H,10-13H2,(H,21,25)(H,23,24)/p-1/b16-14-
InChIKeySNWHCJGUOGOXMC-PEZBUJJGSA-M
MW351.38 g/mol
LogP1.30
Rot. Bonds5

About (Z)-4-(2-morpholin-4-ylanilino)-4-oxo-3-phenylbut-2-enoate

(Z)-4-(2-morpholin-4-ylanilino)-4-oxo-3-phenylbut-2-enoate (PubChem CID 1236346) has the molecular formula C20H19N2O4- and a molecular weight of 351.38 g/mol. Its IUPAC name is (Z)-4-(2-morpholin-4-ylanilino)-4-oxo-3-phenylbut-2-enoate.

Molecular Properties

Compound Name(Z)-4-(2-morpholin-4-ylanilino)-4-oxo-3-phenylbut-2-enoate
PubChem CID1236346
Molecular FormulaC20H19N2O4-
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name(Z)-4-(2-morpholin-4-ylanilino)-4-oxo-3-phenylbut-2-enoate
SMILESO=C([O-])/C=C(\C(=O)Nc1ccccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C20H20N2O4/c23-19(24)14-16(15-6-2-1-3-7-15)20(25)21-17-8-4-5-9-18(17)22-10-12-26-13-11-22/h1-9,14H,10-13H2,(H,21,25)(H,23,24)/p-1/b16-14-
InChIKeySNWHCJGUOGOXMC-PEZBUJJGSA-M
XLogP1.30
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 21215408
N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-phenyloxamide
CID 108520938
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108517102
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526068
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
4-iodo-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1017014
N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108524772
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 1120987
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-morpholin-4-ylanilino)-4-oxo-3-phenylbut-2-enoate?
The IUPAC name of (Z)-4-(2-morpholin-4-ylanilino)-4-oxo-3-phenylbut-2-enoate (CID 1236346) is (Z)-4-(2-morpholin-4-ylanilino)-4-oxo-3-phenylbut-2-enoate.
What is the SMILES notation for (Z)-4-(2-morpholin-4-ylanilino)-4-oxo-3-phenylbut-2-enoate?
The canonical SMILES for (Z)-4-(2-morpholin-4-ylanilino)-4-oxo-3-phenylbut-2-enoate is O=C([O-])/C=C(\C(=O)Nc1ccccc1N1CCOCC1)c1ccccc1.
What is the InChIKey of (Z)-4-(2-morpholin-4-ylanilino)-4-oxo-3-phenylbut-2-enoate?
The InChIKey is SNWHCJGUOGOXMC-PEZBUJJGSA-M. The full InChI is InChI=1S/C20H20N2O4/c23-19(24)14-16(15-6-2-1-3-7-15)20(25)21-17-8-4-5-9-18(17)22-10-12-26-13-11-22/h1-9,14H,10-13H2,(H,21,25)(H,23,24)/p-1/b16-14-.
What are the key properties of (Z)-4-(2-morpholin-4-ylanilino)-4-oxo-3-phenylbut-2-enoate?
(Z)-4-(2-morpholin-4-ylanilino)-4-oxo-3-phenylbut-2-enoate has a molecular weight of 351.38 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-morpholin-4-ylanilino)-4-oxo-3-phenylbut-2-enoate is sourced from PubChem (CID 1236346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).