(E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid

C15H16N2O5 — CID 17205425

IUPAC(E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C/C(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C15H16N2O5/c18-13(4-5-14(19)20)16-12-3-1-2-11(10-12)15(21)17-6-8-22-9-7-17/h1-5,10H,6-9H2,(H,16,18)(H,19,20)/b5-4+
InChIKeyUXMBMTDEWHQONJ-SNAWJCMRSA-N
MW304.30 g/mol
LogP0.74
Rot. Bonds4

About (E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid

(E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid (PubChem CID 17205425) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is (E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid
PubChem CID17205425
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name(E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C/C(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C15H16N2O5/c18-13(4-5-14(19)20)16-12-3-1-2-11(10-12)15(21)17-6-8-22-9-7-17/h1-5,10H,6-9H2,(H,16,18)(H,19,20)/b5-4+
InChIKeyUXMBMTDEWHQONJ-SNAWJCMRSA-N
XLogP0.74
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.74
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

(E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 17205470
N-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide
CID 55797078
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 78894338
2-(benzylamino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54813737
2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205432
1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51082716
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
3-[3-(1,4-oxazepane-4-carbonyl)phenyl]prop-2-enoic acid
CID 76979165

Frequently Asked Questions

What is the IUPAC name of (E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid?
The IUPAC name of (E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid (CID 17205425) is (E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid.
What is the SMILES notation for (E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid?
The canonical SMILES for (E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid is O=C(O)/C=C/C(=O)Nc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of (E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid?
The InChIKey is UXMBMTDEWHQONJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H16N2O5/c18-13(4-5-14(19)20)16-12-3-1-2-11(10-12)15(21)17-6-8-22-9-7-17/h1-5,10H,6-9H2,(H,16,18)(H,19,20)/b5-4+.
What are the key properties of (E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid?
(E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid has a molecular weight of 304.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid is sourced from PubChem (CID 17205425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).