N-(3-methyl-1-morpholin-4-yl-1-oxobut-2-en-2-yl)benzamide

C16H20N2O3 — CID 2249574

IUPACN-(3-methyl-1-morpholin-4-yl-1-oxobut-2-en-2-yl)benzamide
SMILESCC(C)=C(NC(=O)c1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C16H20N2O3/c1-12(2)14(16(20)18-8-10-21-11-9-18)17-15(19)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,17,19)
InChIKeyPSKLZOPZDSYZCI-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.57
Rot. Bonds3

About N-(3-methyl-1-morpholin-4-yl-1-oxobut-2-en-2-yl)benzamide

N-(3-methyl-1-morpholin-4-yl-1-oxobut-2-en-2-yl)benzamide (PubChem CID 2249574) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(3-methyl-1-morpholin-4-yl-1-oxobut-2-en-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-methyl-1-morpholin-4-yl-1-oxobut-2-en-2-yl)benzamide
PubChem CID2249574
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(3-methyl-1-morpholin-4-yl-1-oxobut-2-en-2-yl)benzamide
SMILESCC(C)=C(NC(=O)c1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C16H20N2O3/c1-12(2)14(16(20)18-8-10-21-11-9-18)17-15(19)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,17,19)
InChIKeyPSKLZOPZDSYZCI-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methyl-1-morpholin-4-yl-1-oxobut-2-en-2-yl)benzamide?
The IUPAC name of N-(3-methyl-1-morpholin-4-yl-1-oxobut-2-en-2-yl)benzamide (CID 2249574) is N-(3-methyl-1-morpholin-4-yl-1-oxobut-2-en-2-yl)benzamide.
What is the SMILES notation for N-(3-methyl-1-morpholin-4-yl-1-oxobut-2-en-2-yl)benzamide?
The canonical SMILES for N-(3-methyl-1-morpholin-4-yl-1-oxobut-2-en-2-yl)benzamide is CC(C)=C(NC(=O)c1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of N-(3-methyl-1-morpholin-4-yl-1-oxobut-2-en-2-yl)benzamide?
The InChIKey is PSKLZOPZDSYZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(2)14(16(20)18-8-10-21-11-9-18)17-15(19)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,17,19).
What are the key properties of N-(3-methyl-1-morpholin-4-yl-1-oxobut-2-en-2-yl)benzamide?
N-(3-methyl-1-morpholin-4-yl-1-oxobut-2-en-2-yl)benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-morpholin-4-yl-1-oxobut-2-en-2-yl)benzamide is sourced from PubChem (CID 2249574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).