N-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide

C21H24N2O3 — CID 126430068

IUPACN-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccc(-c2cccc(C(=O)N3CCC[C@H]3C)c2)cc1
InChIInChI=1S/C21H24N2O3/c1-15-5-4-12-23(15)21(25)18-7-3-6-17(13-18)16-8-10-19(11-9-16)26-14-20(24)22-2/h3,6-11,13,15H,4-5,12,14H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyQLALFYHCCFNFJL-OAHLLOKOSA-N
MW352.43 g/mol
LogP3.10
Rot. Bonds5

About N-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide

N-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide (PubChem CID 126430068) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide
PubChem CID126430068
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccc(-c2cccc(C(=O)N3CCC[C@H]3C)c2)cc1
InChIInChI=1S/C21H24N2O3/c1-15-5-4-12-23(15)21(25)18-7-3-6-17(13-18)16-8-10-19(11-9-16)26-14-20(24)22-2/h3,6-11,13,15H,4-5,12,14H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyQLALFYHCCFNFJL-OAHLLOKOSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide?
The IUPAC name of N-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide (CID 126430068) is N-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide is CNC(=O)COc1ccc(-c2cccc(C(=O)N3CCC[C@H]3C)c2)cc1.
What is the InChIKey of N-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide?
The InChIKey is QLALFYHCCFNFJL-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-5-4-12-23(15)21(25)18-7-3-6-17(13-18)16-8-10-19(11-9-16)26-14-20(24)22-2/h3,6-11,13,15H,4-5,12,14H2,1-2H3,(H,22,24)/t15-/m1/s1.
What are the key properties of N-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide?
N-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide is sourced from PubChem (CID 126430068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).