(2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide

C18H25N3O3 — CID 125146529

IUPAC(2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide
SMILESCOc1ccc([C@@H]2[C@H](C(=O)N(C)[C@@H]3CCNC3)CC(=O)N2C)cc1
InChIInChI=1S/C18H25N3O3/c1-20(13-8-9-19-11-13)18(23)15-10-16(22)21(2)17(15)12-4-6-14(24-3)7-5-12/h4-7,13,15,17,19H,8-11H2,1-3H3/t13-,15-,17-/m1/s1
InChIKeyLEIWVZIAOXHTAE-FRFSOERESA-N
MW331.42 g/mol
LogP1.03
Rot. Bonds4

About (2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide

(2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide (PubChem CID 125146529) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide
PubChem CID125146529
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide
SMILESCOc1ccc([C@@H]2[C@H](C(=O)N(C)[C@@H]3CCNC3)CC(=O)N2C)cc1
InChIInChI=1S/C18H25N3O3/c1-20(13-8-9-19-11-13)18(23)15-10-16(22)21(2)17(15)12-4-6-14(24-3)7-5-12/h4-7,13,15,17,19H,8-11H2,1-3H3/t13-,15-,17-/m1/s1
InChIKeyLEIWVZIAOXHTAE-FRFSOERESA-N
XLogP1.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide (CID 125146529) is (2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide is COc1ccc([C@@H]2[C@H](C(=O)N(C)[C@@H]3CCNC3)CC(=O)N2C)cc1.
What is the InChIKey of (2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is LEIWVZIAOXHTAE-FRFSOERESA-N. The full InChI is InChI=1S/C18H25N3O3/c1-20(13-8-9-19-11-13)18(23)15-10-16(22)21(2)17(15)12-4-6-14(24-3)7-5-12/h4-7,13,15,17,19H,8-11H2,1-3H3/t13-,15-,17-/m1/s1.
What are the key properties of (2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
(2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 125146529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).