N-ethyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide

C19H22N2O2 — CID 11559300

IUPACN-ethyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCCN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C19H22N2O2/c1-2-21(15-12-13-20-14-15)19(22)17-10-6-7-11-18(17)23-16-8-4-3-5-9-16/h3-11,15,20H,2,12-14H2,1H3/t15-/m0/s1
InChIKeyIGKPIVYFTICMLH-HNNXBMFYSA-N
MW310.40 g/mol
LogP3.30
Rot. Bonds5

About N-ethyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide

N-ethyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 11559300) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-ethyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID11559300
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-ethyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCCN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C19H22N2O2/c1-2-21(15-12-13-20-14-15)19(22)17-10-6-7-11-18(17)23-16-8-4-3-5-9-16/h3-11,15,20H,2,12-14H2,1H3/t15-/m0/s1
InChIKeyIGKPIVYFTICMLH-HNNXBMFYSA-N
XLogP3.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-ethyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 11559300) is N-ethyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-ethyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-ethyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide is CCN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCNC1.
What is the InChIKey of N-ethyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is IGKPIVYFTICMLH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-21(15-12-13-20-14-15)19(22)17-10-6-7-11-18(17)23-16-8-4-3-5-9-16/h3-11,15,20H,2,12-14H2,1H3/t15-/m0/s1.
What are the key properties of N-ethyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
N-ethyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 11559300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).