(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

C14H18N2O3 — CID 99969292

IUPAC(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCOc1ccc(N2C[C@H](C(N)=O)CC2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-2-7-19-12-5-3-11(4-6-12)16-9-10(14(15)18)8-13(16)17/h3-6,10H,2,7-9H2,1H3,(H2,15,18)/t10-/m1/s1
InChIKeyGAKDTAUJBVQUML-SNVBAGLBSA-N
MW262.31 g/mol
LogP1.31
Rot. Bonds5

About (3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 99969292) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID99969292
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCOc1ccc(N2C[C@H](C(N)=O)CC2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-2-7-19-12-5-3-11(4-6-12)16-9-10(14(15)18)8-13(16)17/h3-6,10H,2,7-9H2,1H3,(H2,15,18)/t10-/m1/s1
InChIKeyGAKDTAUJBVQUML-SNVBAGLBSA-N
XLogP1.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-butoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2174533
1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697856
(3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide
CID 95165446
methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate
CID 10446211
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492
1-(4-propoxyphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708183
(3R)-N-(4-acetylphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7236687
(3R)-N-(2-methylphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7236685
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
(3R)-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 1079900
N-(2,3-dichlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 4202412

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide (CID 99969292) is (3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide is CCCOc1ccc(N2C[C@H](C(N)=O)CC2=O)cc1.
What is the InChIKey of (3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is GAKDTAUJBVQUML-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-7-19-12-5-3-11(4-6-12)16-9-10(14(15)18)8-13(16)17/h3-6,10H,2,7-9H2,1H3,(H2,15,18)/t10-/m1/s1.
What are the key properties of (3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 262.31 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 (3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 99969292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).