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

C22H28N2O2 — CID 44579755

IUPACN-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
SMILESCCC(Oc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1
InChIInChI=1S/C22H28N2O2/c1-2-21(26-20-13-7-4-8-14-20)22(25)24(17-19-12-9-15-23-19)16-18-10-5-3-6-11-18/h3-8,10-11,13-14,19,21,23H,2,9,12,15-17H2,1H3/t19-,21?/m1/s1
InChIKeyKFQRNRMSCSAZDG-YMBRHYMPSA-N
MW352.48 g/mol
LogP3.62
Rot. Bonds8

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

N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide (PubChem CID 44579755) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
PubChem CID44579755
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
SMILESCCC(Oc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1
InChIInChI=1S/C22H28N2O2/c1-2-21(26-20-13-7-4-8-14-20)22(25)24(17-19-12-9-15-23-19)16-18-10-5-3-6-11-18/h3-8,10-11,13-14,19,21,23H,2,9,12,15-17H2,1H3/t19-,21?/m1/s1
InChIKeyKFQRNRMSCSAZDG-YMBRHYMPSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.62
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]butanamide?
The IUPAC name of N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide (CID 44579755) is N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide.
What is the SMILES notation for N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide?
The canonical SMILES for N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide is CCC(Oc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1.
What is the InChIKey of N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide?
The InChIKey is KFQRNRMSCSAZDG-YMBRHYMPSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-21(26-20-13-7-4-8-14-20)22(25)24(17-19-12-9-15-23-19)16-18-10-5-3-6-11-18/h3-8,10-11,13-14,19,21,23H,2,9,12,15-17H2,1H3/t19-,21?/m1/s1.
What are the key properties of N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide?
N-benzyl-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide has a molecular weight of 352.48 g/mol, XLogP of 3.62, 8 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]butanamide is sourced from PubChem (CID 44579755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).