2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

C30H37N3O — CID 69036123

IUPAC2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESCNCCc1ccc(CCCN2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C30H37N3O/c1-32-20-18-25-16-14-24(15-17-25)9-8-21-33-22-19-28(23-33)30(29(31)34,26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-7,10-17,28,32H,8-9,18-23H2,1H3,(H2,31,34)
InChIKeyBCDKSSDVOIFFOO-UHFFFAOYSA-N
MW455.65 g/mol
LogP4.17
Rot. Bonds11

About 2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (PubChem CID 69036123) has the molecular formula C30H37N3O and a molecular weight of 455.65 g/mol. Its IUPAC name is 2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
PubChem CID69036123
Molecular FormulaC30H37N3O
Molecular Weight455.65 g/mol
Exact Mass455.29
IUPAC Name2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESCNCCc1ccc(CCCN2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C30H37N3O/c1-32-20-18-25-16-14-24(15-17-25)9-8-21-33-22-19-28(23-33)30(29(31)34,26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-7,10-17,28,32H,8-9,18-23H2,1H3,(H2,31,34)
InChIKeyBCDKSSDVOIFFOO-UHFFFAOYSA-N
XLogP4.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.65
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The IUPAC name of 2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (CID 69036123) is 2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for 2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is CNCCc1ccc(CCCN2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of 2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The InChIKey is BCDKSSDVOIFFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O/c1-32-20-18-25-16-14-24(15-17-25)9-8-21-33-22-19-28(23-33)30(29(31)34,26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-7,10-17,28,32H,8-9,18-23H2,1H3,(H2,31,34).
What are the key properties of 2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 455.65 g/mol, XLogP of 4.17, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 69036123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).