(Z)-3-methyl-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoic acid

C15H18N2O4 — CID 695865

IUPAC(Z)-3-methyl-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoic acid
SMILESC/C(=C/C(=O)O)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H18N2O4/c1-11(10-14(18)19)15(20)16-12-2-4-13(5-3-12)17-6-8-21-9-7-17/h2-5,10H,6-9H2,1H3,(H,16,20)(H,18,19)/b11-10-
InChIKeyPJAZHUMYCLUITN-KHPPLWFESA-N
MW290.32 g/mol
LogP1.49
Rot. Bonds4

About (Z)-3-methyl-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoic acid

(Z)-3-methyl-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoic acid (PubChem CID 695865) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (Z)-3-methyl-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-methyl-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoic acid
PubChem CID695865
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(Z)-3-methyl-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoic acid
SMILESC/C(=C/C(=O)O)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H18N2O4/c1-11(10-14(18)19)15(20)16-12-2-4-13(5-3-12)17-6-8-21-9-7-17/h2-5,10H,6-9H2,1H3,(H,16,20)(H,18,19)/b11-10-
InChIKeyPJAZHUMYCLUITN-KHPPLWFESA-N
XLogP1.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-Amino-phenyl)-3-morpholin-4-yl-propionamide
CID 844901
Diethyl 2-[(4-morpholinoanilino)methylidene]malonate
CID 2796998
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2397406
N-[4-(morpholin-4-yl)phenyl]butanamide
CID 774884
Piperamide Maleate
CID 20057141
3-methyl-N-[4-(morpholin-4-yl)phenyl]butanamide
CID 960348
Butyl (4-morpholinophenyl)carbamate
CID 1562746
(5Z,8Z,11Z,14Z)-N-(4-morpholinophenyl)icosa-5,8,11,14-tetraenamide
CID 44406108
4-[(4-Morpholin-4-ylphenyl)amino]-4-oxobutanoic acid
CID 3245854
(Z)-4-[4-(dimethylamino)anilino]-4-oxobut-2-enoic acid
CID 1555866
N-(4-morpholin-4-ylphenyl)cyclopropanecarboxamide
CID 804645
ethyl 2-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperidin-4-ylidene]propanoate
CID 44311156

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-3-methyl-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoic acid (CID 695865) is (Z)-3-methyl-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-3-methyl-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-3-methyl-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoic acid is C/C(=C/C(=O)O)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (Z)-3-methyl-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoic acid?
The InChIKey is PJAZHUMYCLUITN-KHPPLWFESA-N. The full InChI is InChI=1S/C15H18N2O4/c1-11(10-14(18)19)15(20)16-12-2-4-13(5-3-12)17-6-8-21-9-7-17/h2-5,10H,6-9H2,1H3,(H,16,20)(H,18,19)/b11-10-.
What are the key properties of (Z)-3-methyl-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoic acid?
(Z)-3-methyl-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoic acid is sourced from PubChem (CID 695865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).