2-[(3R,4R)-1-(4-methoxyphenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide

C15H20N2O3 — CID 46902889

IUPAC2-[(3R,4R)-1-(4-methoxyphenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C(=O)N(c2ccc(OC)cc2)C[C@@H]1C
InChIInChI=1S/C15H20N2O3/c1-10-9-17(11-4-6-12(20-3)7-5-11)15(19)13(10)8-14(18)16-2/h4-7,10,13H,8-9H2,1-3H3,(H,16,18)/t10-,13+/m0/s1
InChIKeyYUUCSROKSGEBBB-GXFFZTMASA-N
MW276.34 g/mol
LogP1.43
Rot. Bonds4

About 2-[(3R,4R)-1-(4-methoxyphenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide

2-[(3R,4R)-1-(4-methoxyphenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide (PubChem CID 46902889) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(3R,4R)-1-(4-methoxyphenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R,4R)-1-(4-methoxyphenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
PubChem CID46902889
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[(3R,4R)-1-(4-methoxyphenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C(=O)N(c2ccc(OC)cc2)C[C@@H]1C
InChIInChI=1S/C15H20N2O3/c1-10-9-17(11-4-6-12(20-3)7-5-11)15(19)13(10)8-14(18)16-2/h4-7,10,13H,8-9H2,1-3H3,(H,16,18)/t10-,13+/m0/s1
InChIKeyYUUCSROKSGEBBB-GXFFZTMASA-N
XLogP1.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-1-(4-methoxyphenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[(3R,4R)-1-(4-methoxyphenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide (CID 46902889) is 2-[(3R,4R)-1-(4-methoxyphenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3R,4R)-1-(4-methoxyphenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3R,4R)-1-(4-methoxyphenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide is CNC(=O)C[C@H]1C(=O)N(c2ccc(OC)cc2)C[C@@H]1C.
What is the InChIKey of 2-[(3R,4R)-1-(4-methoxyphenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is YUUCSROKSGEBBB-GXFFZTMASA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-9-17(11-4-6-12(20-3)7-5-11)15(19)13(10)8-14(18)16-2/h4-7,10,13H,8-9H2,1-3H3,(H,16,18)/t10-,13+/m0/s1.
What are the key properties of 2-[(3R,4R)-1-(4-methoxyphenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
2-[(3R,4R)-1-(4-methoxyphenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 276.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-1-(4-methoxyphenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 46902889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).