N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

C21H26N2O2 — CID 44579643

IUPACN-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1
InChIInChI=1S/C21H26N2O2/c1-17(25-20-12-6-3-7-13-20)21(24)23(16-19-11-8-14-22-19)15-18-9-4-2-5-10-18/h2-7,9-10,12-13,17,19,22H,8,11,14-16H2,1H3/t17?,19-/m1/s1
InChIKeyHPZQRZGIVBISRG-WHCXFUJUSA-N
MW338.45 g/mol
LogP3.23
Rot. Bonds7

About N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (PubChem CID 44579643) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
PubChem CID44579643
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1
InChIInChI=1S/C21H26N2O2/c1-17(25-20-12-6-3-7-13-20)21(24)23(16-19-11-8-14-22-19)15-18-9-4-2-5-10-18/h2-7,9-10,12-13,17,19,22H,8,11,14-16H2,1H3/t17?,19-/m1/s1
InChIKeyHPZQRZGIVBISRG-WHCXFUJUSA-N
XLogP3.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (CID 44579643) is N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is CC(Oc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1.
What is the InChIKey of N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is HPZQRZGIVBISRG-WHCXFUJUSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17(25-20-12-6-3-7-13-20)21(24)23(16-19-11-8-14-22-19)15-18-9-4-2-5-10-18/h2-7,9-10,12-13,17,19,22H,8,11,14-16H2,1H3/t17?,19-/m1/s1.
What are the key properties of N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 44579643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).