4-amino-3-chloro-N-[1-[2-[[(2-ethoxy-5-oxooxolan-3-yl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]benzamide

C24H35ClN4O5 — CID 142380053

About 4-amino-3-chloro-N-[1-[2-[[(2-ethoxy-5-oxooxolan-3-yl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]benzamide

4-amino-3-chloro-N-[1-[2-[[(2-ethoxy-5-oxooxolan-3-yl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]benzamide (PubChem CID 142380053) has the molecular formula C24H35ClN4O5 and a molecular weight of 495.02 g/mol. Its IUPAC name is 4-amino-3-chloro-N-[1-[2-[[(2-ethoxy-5-oxooxolan-3-yl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-amino-3-chloro-N-[1-[2-[[(2-ethoxy-5-oxooxolan-3-yl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]benzamide
• PubChem CID: 142380053
• Molecular Formula: C24H35ClN4O5
• Molecular Weight: 495.02 g/mol
• Exact Mass: 494.23
• IUPAC Name: 4-amino-3-chloro-N-[1-[2-[[(2-ethoxy-5-oxooxolan-3-yl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]benzamide
• SMILES: CCOC1OC(=O)CC1NCC1CCCN1C(=O)C(NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C
• InChI: InChI=1S/C24H35ClN4O5/c1-5-33-23-18(12-19(30)34-23)27-13-15-7-6-10-29(15)22(32)20(24(2,3)4)28-21(31)14-8-9-17(26)16(25)11-14/h8-9,11,15,18,20,23,27H,5-7,10,12-13,26H2,1-4H3,(H,28,31)
• InChIKey: QCOPJLNCBKKCDT-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 122.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.02
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-[1-[2-[[(2-ethoxy-5-oxooxolan-3-yl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]benzamide?

The IUPAC name of 4-amino-3-chloro-N-[1-[2-[[(2-ethoxy-5-oxooxolan-3-yl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]benzamide (CID 142380053) is 4-amino-3-chloro-N-[1-[2-[[(2-ethoxy-5-oxooxolan-3-yl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 4-amino-3-chloro-N-[1-[2-[[(2-ethoxy-5-oxooxolan-3-yl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 4-amino-3-chloro-N-[1-[2-[[(2-ethoxy-5-oxooxolan-3-yl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]benzamide is CCOC1OC(=O)CC1NCC1CCCN1C(=O)C(NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C.

What is the InChIKey of 4-amino-3-chloro-N-[1-[2-[[(2-ethoxy-5-oxooxolan-3-yl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]benzamide?

The InChIKey is QCOPJLNCBKKCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN4O5/c1-5-33-23-18(12-19(30)34-23)27-13-15-7-6-10-29(15)22(32)20(24(2,3)4)28-21(31)14-8-9-17(26)16(25)11-14/h8-9,11,15,18,20,23,27H,5-7,10,12-13,26H2,1-4H3,(H,28,31).

What are the key properties of 4-amino-3-chloro-N-[1-[2-[[(2-ethoxy-5-oxooxolan-3-yl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]benzamide?

4-amino-3-chloro-N-[1-[2-[[(2-ethoxy-5-oxooxolan-3-yl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]benzamide has a molecular weight of 495.02 g/mol, XLogP of 2.33, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-chloro-N-[1-[2-[[(2-ethoxy-5-oxooxolan-3-yl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 142380053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).