2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide

C25H32N4O3 — CID 54835732

About 2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide

2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide (PubChem CID 54835732) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
• PubChem CID: 54835732
• Molecular Formula: C25H32N4O3
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.25
• IUPAC Name: 2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
• SMILES: CC(C)(C)C(=O)Nc1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1
• InChI: InChI=1S/C25H32N4O3/c1-25(2,3)24(32)28-21-12-8-10-19(16-21)26-17-22(30)27-20-11-7-9-18(15-20)23(31)29-13-5-4-6-14-29/h7-12,15-16,26H,4-6,13-14,17H2,1-3H3,(H,27,30)(H,28,32)
• InChIKey: RNOQWAYSVKJCTB-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 90.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide (CID 54835732) is 2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide is CC(C)(C)C(=O)Nc1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1.

What is the InChIKey of 2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide?

The InChIKey is RNOQWAYSVKJCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-25(2,3)24(32)28-21-12-8-10-19(16-21)26-17-22(30)27-20-11-7-9-18(15-20)23(31)29-13-5-4-6-14-29/h7-12,15-16,26H,4-6,13-14,17H2,1-3H3,(H,27,30)(H,28,32).

What are the key properties of 2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide?

2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide has a molecular weight of 436.56 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54835732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).