(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide

C19H20N2O4 — CID 46986685

IUPAC(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)cc1
InChIInChI=1S/C19H20N2O4/c1-24-14-8-10-16(11-9-14)25-15-6-4-13(5-7-15)19(23)21-12-2-3-17(21)18(20)22/h4-11,17H,2-3,12H2,1H3,(H2,20,22)/t17-/m0/s1
InChIKeyCDXPMYOKNRNGSE-KRWDZBQOSA-N
MW340.38 g/mol
LogP2.58
Rot. Bonds5

About (2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide

(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 46986685) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
PubChem CID46986685
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)cc1
InChIInChI=1S/C19H20N2O4/c1-24-14-8-10-16(11-9-14)25-15-6-4-13(5-7-15)19(23)21-12-2-3-17(21)18(20)22/h4-11,17H,2-3,12H2,1H3,(H2,20,22)/t17-/m0/s1
InChIKeyCDXPMYOKNRNGSE-KRWDZBQOSA-N
XLogP2.58
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 110394976
1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
(2S)-1-[4-[(1S)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 99834603
(2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 99834604
1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide
CID 110473581
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
[4-(2-carbamoylpyrrolidine-1-carbonyl)phenyl]boronic acid
CID 66853498
(2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 96533912
(3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone
CID 136547093
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 71898935
(2S)-1-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 124830013

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide (CID 46986685) is (2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide is COc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)cc1.
What is the InChIKey of (2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is CDXPMYOKNRNGSE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-14-8-10-16(11-9-14)25-15-6-4-13(5-7-15)19(23)21-12-2-3-17(21)18(20)22/h4-11,17H,2-3,12H2,1H3,(H2,20,22)/t17-/m0/s1.
What are the key properties of (2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide?
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46986685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).