N-tert-butyl-2-[ethyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide

C19H30N4O3 — CID 26300332

About N-tert-butyl-2-[ethyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide

N-tert-butyl-2-[ethyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide (PubChem CID 26300332) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[ethyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide
• PubChem CID: 26300332
• Molecular Formula: C19H30N4O3
• Molecular Weight: 362.47 g/mol
• Exact Mass: 362.23
• IUPAC Name: N-tert-butyl-2-[ethyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide
• SMILES: CCN(CC(=O)NC(C)(C)C)CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1
• InChI: InChI=1S/C19H30N4O3/c1-5-22(13-17(25)21-19(2,3)4)12-16(24)14-10-15(20-11-14)18(26)23-8-6-7-9-23/h10-11,20H,5-9,12-13H2,1-4H3,(H,21,25)
• InChIKey: KWAPJWLWGLJOLV-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 85.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.47
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide?

The IUPAC name of N-tert-butyl-2-[ethyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide (CID 26300332) is N-tert-butyl-2-[ethyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide.

What is the SMILES notation for N-tert-butyl-2-[ethyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide?

The canonical SMILES for N-tert-butyl-2-[ethyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide is CCN(CC(=O)NC(C)(C)C)CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1.

What is the InChIKey of N-tert-butyl-2-[ethyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide?

The InChIKey is KWAPJWLWGLJOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-5-22(13-17(25)21-19(2,3)4)12-16(24)14-10-15(20-11-14)18(26)23-8-6-7-9-23/h10-11,20H,5-9,12-13H2,1-4H3,(H,21,25).

What are the key properties of N-tert-butyl-2-[ethyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide?

N-tert-butyl-2-[ethyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide has a molecular weight of 362.47 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[ethyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide is sourced from PubChem (CID 26300332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).