(2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide

C15H20N2O3 — CID 95300663

IUPAC(2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C15H20N2O3/c1-10-5-3-4-6-13(10)20-9-11(2)16-15(19)12-7-8-14(18)17-12/h3-6,11-12H,7-9H2,1-2H3,(H,16,19)(H,17,18)/t11-,12-/m1/s1
InChIKeyPQLCVWSIUWPCTE-VXGBXAGGSA-N
MW276.34 g/mol
LogP1.16
Rot. Bonds5

About (2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95300663) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95300663
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C15H20N2O3/c1-10-5-3-4-6-13(10)20-9-11(2)16-15(19)12-7-8-14(18)17-12/h3-6,11-12H,7-9H2,1-2H3,(H,16,19)(H,17,18)/t11-,12-/m1/s1
InChIKeyPQLCVWSIUWPCTE-VXGBXAGGSA-N
XLogP1.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 3051644
(2R)-N-[(2R)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 104872886
N-[1-(2-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)piperidine-4-carboxamide
CID 132654892
1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013477
(2R)-5-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 95324386
1-(4-fluorophenyl)sulfonyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 100652699
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]cyclopentanecarboxamide
CID 95706429
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 110743906
1-[(2-fluorophenyl)methyl]-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013499
(2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide
CID 103709621
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 94623535

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 95300663) is (2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide is Cc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1.
What is the InChIKey of (2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is PQLCVWSIUWPCTE-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-3-4-6-13(10)20-9-11(2)16-15(19)12-7-8-14(18)17-12/h3-6,11-12H,7-9H2,1-2H3,(H,16,19)(H,17,18)/t11-,12-/m1/s1.
What are the key properties of (2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95300663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).