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

C18H26N2O3 — CID 46902932

IUPAC2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCCCN1C[C@H](C)[C@@H](CC(=O)Nc2ccc(OC)cc2)C1=O
InChIInChI=1S/C18H26N2O3/c1-4-5-10-20-12-13(2)16(18(20)22)11-17(21)19-14-6-8-15(23-3)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,21)/t13-,16+/m0/s1
InChIKeyZXFVCILFLSYDSW-XJKSGUPXSA-N
MW318.42 g/mol
LogP2.92
Rot. Bonds7

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

2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 46902932) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID46902932
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCCCN1C[C@H](C)[C@@H](CC(=O)Nc2ccc(OC)cc2)C1=O
InChIInChI=1S/C18H26N2O3/c1-4-5-10-20-12-13(2)16(18(20)22)11-17(21)19-14-6-8-15(23-3)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,21)/t13-,16+/m0/s1
InChIKeyZXFVCILFLSYDSW-XJKSGUPXSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.92
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-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide (CID 46902932) is 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide is CCCCN1C[C@H](C)[C@@H](CC(=O)Nc2ccc(OC)cc2)C1=O.
What is the InChIKey of 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is ZXFVCILFLSYDSW-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-5-10-20-12-13(2)16(18(20)22)11-17(21)19-14-6-8-15(23-3)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,21)/t13-,16+/m0/s1.
What are the key properties of 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide?
2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 46902932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).