2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide

C14H19N3O2 — CID 103313209

IUPAC2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide
SMILESCC(C)(NC1CCc2ccccc2NC1=O)C(N)=O
InChIInChI=1S/C14H19N3O2/c1-14(2,13(15)19)17-11-8-7-9-5-3-4-6-10(9)16-12(11)18/h3-6,11,17H,7-8H2,1-2H3,(H2,15,19)(H,16,18)
InChIKeyGUOSRXYKCOOVOD-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.79
Rot. Bonds3

About 2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide

2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide (PubChem CID 103313209) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide
PubChem CID103313209
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide
SMILESCC(C)(NC1CCc2ccccc2NC1=O)C(N)=O
InChIInChI=1S/C14H19N3O2/c1-14(2,13(15)19)17-11-8-7-9-5-3-4-6-10(9)16-12(11)18/h3-6,11,17H,7-8H2,1-2H3,(H2,15,19)(H,16,18)
InChIKeyGUOSRXYKCOOVOD-UHFFFAOYSA-N
XLogP0.79
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide 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 2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide?
The IUPAC name of 2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide (CID 103313209) is 2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide.
What is the SMILES notation for 2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide?
The canonical SMILES for 2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide is CC(C)(NC1CCc2ccccc2NC1=O)C(N)=O.
What is the InChIKey of 2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide?
The InChIKey is GUOSRXYKCOOVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,13(15)19)17-11-8-7-9-5-3-4-6-10(9)16-12(11)18/h3-6,11,17H,7-8H2,1-2H3,(H2,15,19)(H,16,18).
What are the key properties of 2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide?
2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide has a molecular weight of 261.32 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide is sourced from PubChem (CID 103313209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).