N-methyl-N-[4-(3-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]acetamide

C15H16N2O3 — CID 57036989

IUPACN-methyl-N-[4-(3-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(C23CC2C(=O)N(C)C3=O)cc1
InChIInChI=1S/C15H16N2O3/c1-9(18)16(2)11-6-4-10(5-7-11)15-8-12(15)13(19)17(3)14(15)20/h4-7,12H,8H2,1-3H3
InChIKeyMZKHJQCXTJJGEB-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.93
Rot. Bonds2

About N-methyl-N-[4-(3-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]acetamide

N-methyl-N-[4-(3-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]acetamide (PubChem CID 57036989) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-methyl-N-[4-(3-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-(3-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]acetamide
PubChem CID57036989
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-methyl-N-[4-(3-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(C23CC2C(=O)N(C)C3=O)cc1
InChIInChI=1S/C15H16N2O3/c1-9(18)16(2)11-6-4-10(5-7-11)15-8-12(15)13(19)17(3)14(15)20/h4-7,12H,8H2,1-3H3
InChIKeyMZKHJQCXTJJGEB-UHFFFAOYSA-N
XLogP0.93
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(3-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]acetamide?
The IUPAC name of N-methyl-N-[4-(3-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]acetamide (CID 57036989) is N-methyl-N-[4-(3-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-(3-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-(3-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]acetamide is CC(=O)N(C)c1ccc(C23CC2C(=O)N(C)C3=O)cc1.
What is the InChIKey of N-methyl-N-[4-(3-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]acetamide?
The InChIKey is MZKHJQCXTJJGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9(18)16(2)11-6-4-10(5-7-11)15-8-12(15)13(19)17(3)14(15)20/h4-7,12H,8H2,1-3H3.
What are the key properties of N-methyl-N-[4-(3-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]acetamide?
N-methyl-N-[4-(3-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]acetamide has a molecular weight of 272.30 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(3-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]acetamide is sourced from PubChem (CID 57036989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).