(2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide

C21H24N2O3 — CID 94027340

IUPAC(2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-3-18(26-19-8-5-4-7-15(19)2)21(25)22-16-10-12-17(13-11-16)23-14-6-9-20(23)24/h4-5,7-8,10-13,18H,3,6,9,14H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyXTCSRQAQWMPEOQ-GOSISDBHSA-N
MW352.43 g/mol
LogP3.92
Rot. Bonds6

About (2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide

(2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide (PubChem CID 94027340) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
PubChem CID94027340
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-3-18(26-19-8-5-4-7-15(19)2)21(25)22-16-10-12-17(13-11-16)23-14-6-9-20(23)24/h4-5,7-8,10-13,18H,3,6,9,14H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyXTCSRQAQWMPEOQ-GOSISDBHSA-N
XLogP3.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 99950957
(2S)-2-(3-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 28632081
4-[2-(2-methylphenoxy)butanoylamino]benzoic acid
CID 54854325
2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166851
4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235025
N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide
CID 132653358
2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 65225875
2-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716524
2-[3-(N'-hydroxycarbamimidoyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 91444985
N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
CID 9371180
N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
CID 78788339
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The IUPAC name of (2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide (CID 94027340) is (2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide.
What is the SMILES notation for (2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The canonical SMILES for (2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide is CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of (2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The InChIKey is XTCSRQAQWMPEOQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-18(26-19-8-5-4-7-15(19)2)21(25)22-16-10-12-17(13-11-16)23-14-6-9-20(23)24/h4-5,7-8,10-13,18H,3,6,9,14H2,1-2H3,(H,22,25)/t18-/m1/s1.
What are the key properties of (2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
(2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide has a molecular weight of 352.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 94027340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).