2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide

C16H20N4O4 — CID 110703579

IUPAC2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCN1NC(=O)C(CC(=O)Nc2ccccc2N2CCOCC2)C1=O
InChIInChI=1S/C16H20N4O4/c1-19-16(23)11(15(22)18-19)10-14(21)17-12-4-2-3-5-13(12)20-6-8-24-9-7-20/h2-5,11H,6-10H2,1H3,(H,17,21)(H,18,22)
InChIKeyFGTIBSAMDMSBJK-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.03
Rot. Bonds4

About 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide

2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 110703579) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID110703579
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCN1NC(=O)C(CC(=O)Nc2ccccc2N2CCOCC2)C1=O
InChIInChI=1S/C16H20N4O4/c1-19-16(23)11(15(22)18-19)10-14(21)17-12-4-2-3-5-13(12)20-6-8-24-9-7-20/h2-5,11H,6-10H2,1H3,(H,17,21)(H,18,22)
InChIKeyFGTIBSAMDMSBJK-UHFFFAOYSA-N
XLogP-0.03
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
N-(2-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110425335
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 2999418
3-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-morpholin-4-ylphenyl)propanamide
CID 7922288
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-morpholin-4-ylphenyl)propanamide
CID 7922287
N-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703624
2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109005860
2-[(2-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996603
N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide
CID 110688626
2-[acetyl(cyclohexyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113159561
N-(2-morpholin-4-ylphenyl)-3-piperidin-1-ylpropanamide
CID 110688369

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide (CID 110703579) is 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide is CN1NC(=O)C(CC(=O)Nc2ccccc2N2CCOCC2)C1=O.
What is the InChIKey of 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is FGTIBSAMDMSBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-19-16(23)11(15(22)18-19)10-14(21)17-12-4-2-3-5-13(12)20-6-8-24-9-7-20/h2-5,11H,6-10H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide?
2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 332.36 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 110703579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).