3-methyl-N-[(2S)-1-[(2-methyl-3-oxo-2,4-dihydroazepin-4-yl)amino]-1-oxopropan-2-yl]butanamide

C15H23N3O3 — CID 70088026

IUPAC3-methyl-N-[(2S)-1-[(2-methyl-3-oxo-2,4-dihydroazepin-4-yl)amino]-1-oxopropan-2-yl]butanamide
SMILESCC(C)CC(=O)N[C@@H](C)C(=O)NC1C=CC=NC(C)C1=O
InChIInChI=1S/C15H23N3O3/c1-9(2)8-13(19)17-11(4)15(21)18-12-6-5-7-16-10(3)14(12)20/h5-7,9-12H,8H2,1-4H3,(H,17,19)(H,18,21)/t10?,11-,12?/m0/s1
InChIKeySNQAGBWFAXSSOI-CXQJBGSLSA-N
MW293.37 g/mol
LogP0.62
Rot. Bonds5

About 3-methyl-N-[(2S)-1-[(2-methyl-3-oxo-2,4-dihydroazepin-4-yl)amino]-1-oxopropan-2-yl]butanamide

3-methyl-N-[(2S)-1-[(2-methyl-3-oxo-2,4-dihydroazepin-4-yl)amino]-1-oxopropan-2-yl]butanamide (PubChem CID 70088026) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-1-[(2-methyl-3-oxo-2,4-dihydroazepin-4-yl)amino]-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(2S)-1-[(2-methyl-3-oxo-2,4-dihydroazepin-4-yl)amino]-1-oxopropan-2-yl]butanamide
PubChem CID70088026
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-methyl-N-[(2S)-1-[(2-methyl-3-oxo-2,4-dihydroazepin-4-yl)amino]-1-oxopropan-2-yl]butanamide
SMILESCC(C)CC(=O)N[C@@H](C)C(=O)NC1C=CC=NC(C)C1=O
InChIInChI=1S/C15H23N3O3/c1-9(2)8-13(19)17-11(4)15(21)18-12-6-5-7-16-10(3)14(12)20/h5-7,9-12H,8H2,1-4H3,(H,17,19)(H,18,21)/t10?,11-,12?/m0/s1
InChIKeySNQAGBWFAXSSOI-CXQJBGSLSA-N
XLogP0.62
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[(2S)-1-[(2-methyl-3-oxo-2,4-dihydroazepin-4-yl)amino]-1-oxopropan-2-yl]butanamide 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 3-methyl-N-[(2S)-1-[(2-methyl-3-oxo-2,4-dihydroazepin-4-yl)amino]-1-oxopropan-2-yl]butanamide?
The IUPAC name of 3-methyl-N-[(2S)-1-[(2-methyl-3-oxo-2,4-dihydroazepin-4-yl)amino]-1-oxopropan-2-yl]butanamide (CID 70088026) is 3-methyl-N-[(2S)-1-[(2-methyl-3-oxo-2,4-dihydroazepin-4-yl)amino]-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[(2S)-1-[(2-methyl-3-oxo-2,4-dihydroazepin-4-yl)amino]-1-oxopropan-2-yl]butanamide?
The canonical SMILES for 3-methyl-N-[(2S)-1-[(2-methyl-3-oxo-2,4-dihydroazepin-4-yl)amino]-1-oxopropan-2-yl]butanamide is CC(C)CC(=O)N[C@@H](C)C(=O)NC1C=CC=NC(C)C1=O.
What is the InChIKey of 3-methyl-N-[(2S)-1-[(2-methyl-3-oxo-2,4-dihydroazepin-4-yl)amino]-1-oxopropan-2-yl]butanamide?
The InChIKey is SNQAGBWFAXSSOI-CXQJBGSLSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(2)8-13(19)17-11(4)15(21)18-12-6-5-7-16-10(3)14(12)20/h5-7,9-12H,8H2,1-4H3,(H,17,19)(H,18,21)/t10?,11-,12?/m0/s1.
What are the key properties of 3-methyl-N-[(2S)-1-[(2-methyl-3-oxo-2,4-dihydroazepin-4-yl)amino]-1-oxopropan-2-yl]butanamide?
3-methyl-N-[(2S)-1-[(2-methyl-3-oxo-2,4-dihydroazepin-4-yl)amino]-1-oxopropan-2-yl]butanamide has a molecular weight of 293.37 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S)-1-[(2-methyl-3-oxo-2,4-dihydroazepin-4-yl)amino]-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 70088026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).