(E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide

C14H21N3O4 — CID 171527718

IUPAC(E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide
SMILESCC(=O)NC1CC(NC(=O)/C=C/C(=O)N2CCOCC2)C1
InChIInChI=1S/C14H21N3O4/c1-10(18)15-11-8-12(9-11)16-13(19)2-3-14(20)17-4-6-21-7-5-17/h2-3,11-12H,4-9H2,1H3,(H,15,18)(H,16,19)/b3-2+
InChIKeyPDPKNHOLNMBWHX-NSCUHMNNSA-N
MW295.34 g/mol
LogP-0.82
Rot. Bonds4

About (E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide

(E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide (PubChem CID 171527718) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is (E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide
PubChem CID171527718
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name(E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide
SMILESCC(=O)NC1CC(NC(=O)/C=C/C(=O)N2CCOCC2)C1
InChIInChI=1S/C14H21N3O4/c1-10(18)15-11-8-12(9-11)16-13(19)2-3-14(20)17-4-6-21-7-5-17/h2-3,11-12H,4-9H2,1H3,(H,15,18)(H,16,19)/b3-2+
InChIKeyPDPKNHOLNMBWHX-NSCUHMNNSA-N
XLogP-0.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide with MolForge

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Related Compounds

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CID 728972
(E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one
CID 129407797
ethane;(E)-1-morpholin-4-ylbut-2-en-1-one
CID 143019024
N-[3-(morpholine-4-carbonylamino)cyclohexyl]morpholine-4-carboxamide
CID 171722453
(E)-1-morpholin-4-ylhex-2-en-1-one
CID 135042779
N-[(3S)-1-(2-morpholin-4-yl-2-oxoethyl)piperidin-3-yl]acetamide
CID 97312328
N-acetylmorpholine-4-carboxamide
CID 102407930
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
(E)-N-(oxan-4-yl)but-2-enamide
CID 118136876
N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide
CID 35554708

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide?
The IUPAC name of (E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide (CID 171527718) is (E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide.
What is the SMILES notation for (E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide?
The canonical SMILES for (E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide is CC(=O)NC1CC(NC(=O)/C=C/C(=O)N2CCOCC2)C1.
What is the InChIKey of (E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide?
The InChIKey is PDPKNHOLNMBWHX-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10(18)15-11-8-12(9-11)16-13(19)2-3-14(20)17-4-6-21-7-5-17/h2-3,11-12H,4-9H2,1H3,(H,15,18)(H,16,19)/b3-2+.
What are the key properties of (E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide?
(E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide has a molecular weight of 295.34 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide is sourced from PubChem (CID 171527718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).