2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

C36H41N3O — CID 11466741

About 2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (PubChem CID 11466741) has the molecular formula C36H41N3O and a molecular weight of 531.74 g/mol. Its IUPAC name is 2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: 2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
• PubChem CID: 11466741
• Molecular Formula: C36H41N3O
• Molecular Weight: 531.74 g/mol
• Exact Mass: 531.32
• IUPAC Name: 2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
• SMILES: CN(CCc1ccc(CCN2CC[C@@H](C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1)Cc1ccccc1
• InChI: InChI=1S/C36H41N3O/c1-38(27-31-11-5-2-6-12-31)24-21-29-17-19-30(20-18-29)22-25-39-26-23-34(28-39)36(35(37)40,32-13-7-3-8-14-32)33-15-9-4-10-16-33/h2-20,34H,21-28H2,1H3,(H2,37,40)/t34-/m1/s1
• InChIKey: SYEUKSDQXISORS-UUWRZZSWSA-N
• XLogP: 5.70
• TPSA: 49.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.74
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

The IUPAC name of 2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (CID 11466741) is 2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

What is the SMILES notation for 2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

The canonical SMILES for 2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is CN(CCc1ccc(CCN2CC[C@@H](C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1)Cc1ccccc1.

What is the InChIKey of 2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

The InChIKey is SYEUKSDQXISORS-UUWRZZSWSA-N. The full InChI is InChI=1S/C36H41N3O/c1-38(27-31-11-5-2-6-12-31)24-21-29-17-19-30(20-18-29)22-25-39-26-23-34(28-39)36(35(37)40,32-13-7-3-8-14-32)33-15-9-4-10-16-33/h2-20,34H,21-28H2,1H3,(H2,37,40)/t34-/m1/s1.

What are the key properties of 2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 531.74 g/mol, XLogP of 5.70, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 11466741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).