3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide

C21H26N2O2 — CID 110024527

IUPAC3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide
SMILESCc1cc(NC(=O)CC(C)(O)c2ccccc2)ccc1N1CCCC1
InChIInChI=1S/C21H26N2O2/c1-16-14-18(10-11-19(16)23-12-6-7-13-23)22-20(24)15-21(2,25)17-8-4-3-5-9-17/h3-5,8-11,14,25H,6-7,12-13,15H2,1-2H3,(H,22,24)
InChIKeyAJYLRGKXFMBROG-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.83
Rot. Bonds5

About 3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide

3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide (PubChem CID 110024527) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide
PubChem CID110024527
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide
SMILESCc1cc(NC(=O)CC(C)(O)c2ccccc2)ccc1N1CCCC1
InChIInChI=1S/C21H26N2O2/c1-16-14-18(10-11-19(16)23-12-6-7-13-23)22-20(24)15-21(2,25)17-8-4-3-5-9-17/h3-5,8-11,14,25H,6-7,12-13,15H2,1-2H3,(H,22,24)
InChIKeyAJYLRGKXFMBROG-UHFFFAOYSA-N
XLogP3.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide
CID 110024262
2-(2,6-dichlorophenyl)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 55451728
3-(2,2-dimethylpropanoylamino)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 38118120
2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24535268
5-(3,3-dimethylbutanoylamino)-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 1066073
5-(3,3-dimethylbutanoylamino)-N-[(1S)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 1066129
N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896207
3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide
CID 110025383
(2S)-1-[2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40792929
2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 33236991
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide
CID 27050656
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 22110936

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide (CID 110024527) is 3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide is Cc1cc(NC(=O)CC(C)(O)c2ccccc2)ccc1N1CCCC1.
What is the InChIKey of 3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide?
The InChIKey is AJYLRGKXFMBROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-14-18(10-11-19(16)23-12-6-7-13-23)22-20(24)15-21(2,25)17-8-4-3-5-9-17/h3-5,8-11,14,25H,6-7,12-13,15H2,1-2H3,(H,22,24).
What are the key properties of 3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide?
3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide has a molecular weight of 338.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide is sourced from PubChem (CID 110024527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).