5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide

C15H20N2O3 — CID 168696080

IUPAC5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)Oc1cccc(CN2CC(C(N)=O)CC2=O)c1
InChIInChI=1S/C15H20N2O3/c1-10(2)20-13-5-3-4-11(6-13)8-17-9-12(15(16)19)7-14(17)18/h3-6,10,12H,7-9H2,1-2H3,(H2,16,19)
InChIKeyJZIAIDJBLLMBHG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.31
Rot. Bonds5

About 5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide

5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 168696080) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID168696080
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)Oc1cccc(CN2CC(C(N)=O)CC2=O)c1
InChIInChI=1S/C15H20N2O3/c1-10(2)20-13-5-3-4-11(6-13)8-17-9-12(15(16)19)7-14(17)18/h3-6,10,12H,7-9H2,1-2H3,(H2,16,19)
InChIKeyJZIAIDJBLLMBHG-UHFFFAOYSA-N
XLogP1.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168696082
1-[(3-propan-2-yloxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708071
1-[[3-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697437
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 168696325
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113183329
1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4963914
methyl 1-[(3-aminophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 168694329
1-[[3-[2-(4-ethylphenoxy)ethoxy]phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 20986716
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759
2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684643
methyl (3S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 91664291

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide (CID 168696080) is 5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide is CC(C)Oc1cccc(CN2CC(C(N)=O)CC2=O)c1.
What is the InChIKey of 5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is JZIAIDJBLLMBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)20-13-5-3-4-11(6-13)8-17-9-12(15(16)19)7-14(17)18/h3-6,10,12H,7-9H2,1-2H3,(H2,16,19).
What are the key properties of 5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide?
5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 168696080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).