4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide

C19H20N2O4 — CID 7548080

IUPAC4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1
InChIInChI=1S/C19H20N2O4/c1-24-16-8-6-13(7-9-16)19(23)20-14-10-18(22)21(12-14)15-4-3-5-17(11-15)25-2/h3-9,11,14H,10,12H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyMBCAIYQPFWHVMG-CQSZACIVSA-N
MW340.38 g/mol
LogP2.24
Rot. Bonds5

About 4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide

4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 7548080) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID7548080
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1
InChIInChI=1S/C19H20N2O4/c1-24-16-8-6-13(7-9-16)19(23)20-14-10-18(22)21(12-14)15-4-3-5-17(11-15)25-2/h3-9,11,14H,10,12H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyMBCAIYQPFWHVMG-CQSZACIVSA-N
XLogP2.24
TPSA67.87 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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide (CID 7548080) is 4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide is COc1ccc(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1.
What is the InChIKey of 4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is MBCAIYQPFWHVMG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-16-8-6-13(7-9-16)19(23)20-14-10-18(22)21(12-14)15-4-3-5-17(11-15)25-2/h3-9,11,14H,10,12H2,1-2H3,(H,20,23)/t14-/m1/s1.
What are the key properties of 4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 340.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 7548080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).