(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-phenoxyphenyl)pyrrolidin-1-yl]propanamide

C20H22N2O4 — CID 10948209

IUPAC(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-phenoxyphenyl)pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C20H22N2O4/c1-14(18(23)21-25)22-13-12-20(2,19(22)24)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-11,14,25H,12-13H2,1-2H3,(H,21,23)/t14-,20+/m1/s1
InChIKeyADBJQPXZUYOOEQ-VLIAUNLRSA-N
MW354.41 g/mol
LogP2.86
Rot. Bonds5

About (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-phenoxyphenyl)pyrrolidin-1-yl]propanamide

(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-phenoxyphenyl)pyrrolidin-1-yl]propanamide (PubChem CID 10948209) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-phenoxyphenyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-phenoxyphenyl)pyrrolidin-1-yl]propanamide
PubChem CID10948209
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-phenoxyphenyl)pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C20H22N2O4/c1-14(18(23)21-25)22-13-12-20(2,19(22)24)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-11,14,25H,12-13H2,1-2H3,(H,21,23)/t14-,20+/m1/s1
InChIKeyADBJQPXZUYOOEQ-VLIAUNLRSA-N
XLogP2.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-Isobutyl-3-(N'-hydroxycarbonylamido)propanoyl)-O-methyltyrosinemethylamide
CID 128564
SL422
CID 10344307
(R)-N4-hydroxy-N1-((S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl)-2-(5-phenoxypentyl)succinamide
CID 10343996
N*4*-Hydroxy-2-isobutyl-N*1*-[2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethyl]-3-methyl-succinamide
CID 44293416
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895807
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(4-methoxyphenyl)phenyl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895830
6-[[(2S)-2-azaniumyl-3-(4-phenylmethoxyphenyl)propyl]-hydroxyamino]-6-oxohexanoate
CID 44629595
(7S,8R,11S)-7-N-hydroxy-11-N-methyl-9-oxo-8-[2-(4-propylphenyl)ethyl]-2-oxa-10-azabicyclo[11.2.2]heptadeca-1(15),13,16-triene-7,11-dicarboxamide
CID 10324032
(2R)-N'-hydroxy-2-[(4-hydroxyphenyl)methyl]-N-[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]butanediamide
CID 11037377
(7S,8R,11S)-7-N-hydroxy-11-N-methyl-9-oxo-8-(4-phenylmethoxybutyl)-2-oxa-10-azabicyclo[11.2.2]heptadeca-1(15),13,16-triene-7,11-dicarboxamide
CID 44306277
(7S,8R,11S)-7-N-hydroxy-11-N-methyl-8-[3-(4-methylphenyl)propyl]-9-oxo-2-oxa-10-azabicyclo[11.2.2]heptadeca-1(15),13,16-triene-7,11-dicarboxamide
CID 44306279
N*1*-(2-Cyclohexyl-1-phenethylcarbamoyl-ethyl)-N*4*-hydroxy-2-[3-(4-methoxy-phenyl)-propyl]-succinamide
CID 44314901

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-phenoxyphenyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-phenoxyphenyl)pyrrolidin-1-yl]propanamide (CID 10948209) is (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-phenoxyphenyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-phenoxyphenyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-phenoxyphenyl)pyrrolidin-1-yl]propanamide is C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(Oc3ccccc3)cc2)C1=O.
What is the InChIKey of (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-phenoxyphenyl)pyrrolidin-1-yl]propanamide?
The InChIKey is ADBJQPXZUYOOEQ-VLIAUNLRSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14(18(23)21-25)22-13-12-20(2,19(22)24)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-11,14,25H,12-13H2,1-2H3,(H,21,23)/t14-,20+/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-phenoxyphenyl)pyrrolidin-1-yl]propanamide?
(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-phenoxyphenyl)pyrrolidin-1-yl]propanamide has a molecular weight of 354.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-phenoxyphenyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 10948209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).