4-hydroxy-2-N-[2-(2-methylphenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide

C21H25N3O3 — CID 6488162

IUPAC4-hydroxy-2-N-[2-(2-methylphenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCc1ccccc1CCNC(=O)C1CC(O)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C21H25N3O3/c1-15-7-5-6-8-16(15)11-12-22-20(26)19-13-18(25)14-24(19)21(27)23-17-9-3-2-4-10-17/h2-10,18-19,25H,11-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyOHHPSTXNAUDYCV-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.32
Rot. Bonds5

About 4-hydroxy-2-N-[2-(2-methylphenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide

4-hydroxy-2-N-[2-(2-methylphenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 6488162) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-hydroxy-2-N-[2-(2-methylphenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name4-hydroxy-2-N-[2-(2-methylphenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID6488162
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-hydroxy-2-N-[2-(2-methylphenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCc1ccccc1CCNC(=O)C1CC(O)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C21H25N3O3/c1-15-7-5-6-8-16(15)11-12-22-20(26)19-13-18(25)14-24(19)21(27)23-17-9-3-2-4-10-17/h2-10,18-19,25H,11-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyOHHPSTXNAUDYCV-UHFFFAOYSA-N
XLogP2.32
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methyl-2-(phenylamino)acetamide
CID 11256722
N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methyl-2-(4-(trifluoromethyl)phenylamino)acetamide
CID 11258701
N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methyl-2-(methyl(phenyl)amino)acetamide
CID 11280087
N1-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N1-methyl-N3-phenylmalonamide
CID 11372452
4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 2-cyclopentylamide 1-phenylamide
CID 3231144
N~2~-(4-tert-butylbenzyl)-N~1~-phenylpyrrolidine-1,2-dicarboxamide
CID 3468432
(2S,4R)-4-hydroxy-2-N,2-N-dimethyl-1-N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 10162731
2-(Acetyl-phenyl-amino)-N-[(S)-2-((S)-3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-acetamide
CID 11188632
N1-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N1-methyl-N4-phenylsuccinamide
CID 11463580
(4S)-1-benzyl-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 25232084
(4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-4-carboxamide
CID 25233156
(2S,3S)-3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide
CID 45483234

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-N-[2-(2-methylphenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 4-hydroxy-2-N-[2-(2-methylphenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 6488162) is 4-hydroxy-2-N-[2-(2-methylphenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 4-hydroxy-2-N-[2-(2-methylphenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 4-hydroxy-2-N-[2-(2-methylphenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide is Cc1ccccc1CCNC(=O)C1CC(O)CN1C(=O)Nc1ccccc1.
What is the InChIKey of 4-hydroxy-2-N-[2-(2-methylphenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is OHHPSTXNAUDYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-7-5-6-8-16(15)11-12-22-20(26)19-13-18(25)14-24(19)21(27)23-17-9-3-2-4-10-17/h2-10,18-19,25H,11-14H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 4-hydroxy-2-N-[2-(2-methylphenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
4-hydroxy-2-N-[2-(2-methylphenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-N-[2-(2-methylphenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 6488162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).