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

C18H20N2O2 — CID 45267611

IUPACN-methyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C18H20N2O2/c1-20(14-11-12-19-13-14)18(21)16-9-5-6-10-17(16)22-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3/t14-/m0/s1
InChIKeySKAPWNQXRANDFK-AWEZNQCLSA-N
MW296.37 g/mol
LogP2.91
Rot. Bonds4

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

N-methyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 45267611) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-methyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID45267611
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-methyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C18H20N2O2/c1-20(14-11-12-19-13-14)18(21)16-9-5-6-10-17(16)22-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3/t14-/m0/s1
InChIKeySKAPWNQXRANDFK-AWEZNQCLSA-N
XLogP2.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-methyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 45267611) is N-methyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-methyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-methyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide is CN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCNC1.
What is the InChIKey of N-methyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is SKAPWNQXRANDFK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-20(14-11-12-19-13-14)18(21)16-9-5-6-10-17(16)22-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3/t14-/m0/s1.
What are the key properties of N-methyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
N-methyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 45267611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).