(2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide

C15H20N2O4 — CID 128984241

IUPAC(2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(C(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)ccc1C
InChIInChI=1S/C15H20N2O4/c1-9-4-5-10(6-13(9)21-3)15(19)17-8-11(20-2)7-12(17)14(16)18/h4-6,11-12H,7-8H2,1-3H3,(H2,16,18)/t11-,12-/m0/s1
InChIKeyRHZHFELNXYHPTB-RYUDHWBXSA-N
MW292.33 g/mol
LogP0.72
Rot. Bonds4

About (2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide (PubChem CID 128984241) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide
PubChem CID128984241
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(C(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)ccc1C
InChIInChI=1S/C15H20N2O4/c1-9-4-5-10(6-13(9)21-3)15(19)17-8-11(20-2)7-12(17)14(16)18/h4-6,11-12H,7-8H2,1-3H3,(H2,16,18)/t11-,12-/m0/s1
InChIKeyRHZHFELNXYHPTB-RYUDHWBXSA-N
XLogP0.72
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide (CID 128984241) is (2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide is COc1cc(C(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)ccc1C.
What is the InChIKey of (2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is RHZHFELNXYHPTB-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-4-5-10(6-13(9)21-3)15(19)17-8-11(20-2)7-12(17)14(16)18/h4-6,11-12H,7-8H2,1-3H3,(H2,16,18)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 128984241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).