(2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide

C20H22N2O3 — CID 95348679

IUPAC(2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C20H22N2O3/c1-13-12-16(25-14(2)15-6-4-3-5-7-15)8-9-17(13)22-20(24)18-10-11-19(23)21-18/h3-9,12,14,18H,10-11H2,1-2H3,(H,21,23)(H,22,24)/t14-,18-/m1/s1
InChIKeyLSMMXSJIICWMIE-RDTXWAMCSA-N
MW338.41 g/mol
LogP3.35
Rot. Bonds5

About (2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95348679) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95348679
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C20H22N2O3/c1-13-12-16(25-14(2)15-6-4-3-5-7-15)8-9-17(13)22-20(24)18-10-11-19(23)21-18/h3-9,12,14,18H,10-11H2,1-2H3,(H,21,23)(H,22,24)/t14-,18-/m1/s1
InChIKeyLSMMXSJIICWMIE-RDTXWAMCSA-N
XLogP3.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide (CID 95348679) is (2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide is Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@H]1CCC(=O)N1.
What is the InChIKey of (2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LSMMXSJIICWMIE-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-12-16(25-14(2)15-6-4-3-5-7-15)8-9-17(13)22-20(24)18-10-11-19(23)21-18/h3-9,12,14,18H,10-11H2,1-2H3,(H,21,23)(H,22,24)/t14-,18-/m1/s1.
What are the key properties of (2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95348679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).