2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide

C31H39N3O — CID 11454189

About 2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide

2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide (PubChem CID 11454189) has the molecular formula C31H39N3O and a molecular weight of 469.67 g/mol. Its IUPAC name is 2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide
• PubChem CID: 11454189
• Molecular Formula: C31H39N3O
• Molecular Weight: 469.67 g/mol
• Exact Mass: 469.31
• IUPAC Name: 2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide
• SMILES: CC(C)NCCc1ccc(CCN2CC[C@@H](C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1
• InChI: InChI=1S/C31H39N3O/c1-24(2)33-20-17-25-13-15-26(16-14-25)18-21-34-22-19-29(23-34)31(30(32)35,27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-16,24,29,33H,17-23H2,1-2H3,(H2,32,35)/t29-/m1/s1
• InChIKey: NTIMEIWNXVCNGS-GDLZYMKVSA-N
• XLogP: 4.56
• TPSA: 58.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.67
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide?

The IUPAC name of 2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide (CID 11454189) is 2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide.

What is the SMILES notation for 2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide?

The canonical SMILES for 2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide is CC(C)NCCc1ccc(CCN2CC[C@@H](C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1.

What is the InChIKey of 2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide?

The InChIKey is NTIMEIWNXVCNGS-GDLZYMKVSA-N. The full InChI is InChI=1S/C31H39N3O/c1-24(2)33-20-17-25-13-15-26(16-14-25)18-21-34-22-19-29(23-34)31(30(32)35,27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-16,24,29,33H,17-23H2,1-2H3,(H2,32,35)/t29-/m1/s1.

What are the key properties of 2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide?

2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide has a molecular weight of 469.67 g/mol, XLogP of 4.56, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 11454189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).