4-methyl-N-(2-oxoazepan-3-yl)benzamide

C14H18N2O2 — CID 2813200

IUPAC4-methyl-N-(2-oxoazepan-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCCCNC2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-10-5-7-11(8-6-10)13(17)16-12-4-2-3-9-15-14(12)18/h5-8,12H,2-4,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyUNUWYBQTODGHCJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.39
Rot. Bonds2

About 4-methyl-N-(2-oxoazepan-3-yl)benzamide

4-methyl-N-(2-oxoazepan-3-yl)benzamide (PubChem CID 2813200) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-methyl-N-(2-oxoazepan-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxoazepan-3-yl)benzamide
PubChem CID2813200
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-methyl-N-(2-oxoazepan-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCCCNC2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-10-5-7-11(8-6-10)13(17)16-12-4-2-3-9-15-14(12)18/h5-8,12H,2-4,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyUNUWYBQTODGHCJ-UHFFFAOYSA-N
XLogP1.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-(2-oxoazepan-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxoazepan-3-yl)benzamide?
The IUPAC name of 4-methyl-N-(2-oxoazepan-3-yl)benzamide (CID 2813200) is 4-methyl-N-(2-oxoazepan-3-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-oxoazepan-3-yl)benzamide?
The canonical SMILES for 4-methyl-N-(2-oxoazepan-3-yl)benzamide is Cc1ccc(C(=O)NC2CCCCNC2=O)cc1.
What is the InChIKey of 4-methyl-N-(2-oxoazepan-3-yl)benzamide?
The InChIKey is UNUWYBQTODGHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-5-7-11(8-6-10)13(17)16-12-4-2-3-9-15-14(12)18/h5-8,12H,2-4,9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-methyl-N-(2-oxoazepan-3-yl)benzamide?
4-methyl-N-(2-oxoazepan-3-yl)benzamide has a molecular weight of 246.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-oxoazepan-3-yl)benzamide is sourced from PubChem (CID 2813200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).