5-[(3S)-3-phenoxypyrrolidin-1-yl]-2,2-diphenylpentanamide

C27H30N2O2 — CID 54757332

IUPAC5-[(3S)-3-phenoxypyrrolidin-1-yl]-2,2-diphenylpentanamide
SMILESNC(=O)C(CCCN1CC[C@H](Oc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O2/c28-26(30)27(22-11-4-1-5-12-22,23-13-6-2-7-14-23)18-10-19-29-20-17-25(21-29)31-24-15-8-3-9-16-24/h1-9,11-16,25H,10,17-21H2,(H2,28,30)/t25-/m0/s1
InChIKeyXKGBDMVXPVMRSW-VWLOTQADSA-N
MW414.55 g/mol
LogP4.39
Rot. Bonds9

About 5-[(3S)-3-phenoxypyrrolidin-1-yl]-2,2-diphenylpentanamide

5-[(3S)-3-phenoxypyrrolidin-1-yl]-2,2-diphenylpentanamide (PubChem CID 54757332) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 5-[(3S)-3-phenoxypyrrolidin-1-yl]-2,2-diphenylpentanamide.

Molecular Properties

Compound Name5-[(3S)-3-phenoxypyrrolidin-1-yl]-2,2-diphenylpentanamide
PubChem CID54757332
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name5-[(3S)-3-phenoxypyrrolidin-1-yl]-2,2-diphenylpentanamide
SMILESNC(=O)C(CCCN1CC[C@H](Oc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O2/c28-26(30)27(22-11-4-1-5-12-22,23-13-6-2-7-14-23)18-10-19-29-20-17-25(21-29)31-24-15-8-3-9-16-24/h1-9,11-16,25H,10,17-21H2,(H2,28,30)/t25-/m0/s1
InChIKeyXKGBDMVXPVMRSW-VWLOTQADSA-N
XLogP4.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-phenoxypyrrolidin-1-yl]-2,2-diphenylpentanamide?
The IUPAC name of 5-[(3S)-3-phenoxypyrrolidin-1-yl]-2,2-diphenylpentanamide (CID 54757332) is 5-[(3S)-3-phenoxypyrrolidin-1-yl]-2,2-diphenylpentanamide.
What is the SMILES notation for 5-[(3S)-3-phenoxypyrrolidin-1-yl]-2,2-diphenylpentanamide?
The canonical SMILES for 5-[(3S)-3-phenoxypyrrolidin-1-yl]-2,2-diphenylpentanamide is NC(=O)C(CCCN1CC[C@H](Oc2ccccc2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[(3S)-3-phenoxypyrrolidin-1-yl]-2,2-diphenylpentanamide?
The InChIKey is XKGBDMVXPVMRSW-VWLOTQADSA-N. The full InChI is InChI=1S/C27H30N2O2/c28-26(30)27(22-11-4-1-5-12-22,23-13-6-2-7-14-23)18-10-19-29-20-17-25(21-29)31-24-15-8-3-9-16-24/h1-9,11-16,25H,10,17-21H2,(H2,28,30)/t25-/m0/s1.
What are the key properties of 5-[(3S)-3-phenoxypyrrolidin-1-yl]-2,2-diphenylpentanamide?
5-[(3S)-3-phenoxypyrrolidin-1-yl]-2,2-diphenylpentanamide has a molecular weight of 414.55 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-phenoxypyrrolidin-1-yl]-2,2-diphenylpentanamide is sourced from PubChem (CID 54757332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).