N-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide

C24H27FN4O4 — CID 70997379

IUPACN-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide
SMILESC/C1=N/C/C=C\C=C(\CNC(=O)Cc2ccc(C)c(F)c2)CC(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C24H27FN4O4/c1-15-6-7-17(11-19(15)25)12-22(31)27-14-18-5-3-4-10-26-16(2)29(23(32)13-18)20-8-9-21(30)28-24(20)33/h3-7,11,20H,8-10,12-14H2,1-2H3,(H,27,31)(H,28,30,33)/b4-3-,18-5+,26-16-
InChIKeyPVMUGRFQTWXWHD-BVHZFQEFSA-N
MW454.50 g/mol
LogP1.73
Rot. Bonds5

About N-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide

N-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 70997379) has the molecular formula C24H27FN4O4 and a molecular weight of 454.50 g/mol. Its IUPAC name is N-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide
PubChem CID70997379
Molecular FormulaC24H27FN4O4
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC NameN-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide
SMILESC/C1=N/C/C=C\C=C(\CNC(=O)Cc2ccc(C)c(F)c2)CC(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C24H27FN4O4/c1-15-6-7-17(11-19(15)25)12-22(31)27-14-18-5-3-4-10-26-16(2)29(23(32)13-18)20-8-9-21(30)28-24(20)33/h3-7,11,20H,8-10,12-14H2,1-2H3,(H,27,31)(H,28,30,33)/b4-3-,18-5+,26-16-
InChIKeyPVMUGRFQTWXWHD-BVHZFQEFSA-N
XLogP1.73
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of N-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide (CID 70997379) is N-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for N-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for N-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide is C/C1=N/C/C=C\C=C(\CNC(=O)Cc2ccc(C)c(F)c2)CC(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of N-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is PVMUGRFQTWXWHD-BVHZFQEFSA-N. The full InChI is InChI=1S/C24H27FN4O4/c1-15-6-7-17(11-19(15)25)12-22(31)27-14-18-5-3-4-10-26-16(2)29(23(32)13-18)20-8-9-21(30)28-24(20)33/h3-7,11,20H,8-10,12-14H2,1-2H3,(H,27,31)(H,28,30,33)/b4-3-,18-5+,26-16-.
What are the key properties of N-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide?
N-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 454.50 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 70997379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).