N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-5,5-dimethylpyrrolidine-3-carboxamide

C21H26N2O2 — CID 166354961

IUPACN-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-5,5-dimethylpyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)CN1
InChIInChI=1S/C21H26N2O2/c1-21(2)13-17(14-22-21)20(25)23-18(15-9-5-3-6-10-15)19(24)16-11-7-4-8-12-16/h3-12,17-19,22,24H,13-14H2,1-2H3,(H,23,25)/t17?,18-,19+/m0/s1
InChIKeyJUFMZLFHXMQZMU-JLMCIHFGSA-N
MW338.45 g/mol
LogP2.97
Rot. Bonds5

About N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-5,5-dimethylpyrrolidine-3-carboxamide

N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-5,5-dimethylpyrrolidine-3-carboxamide (PubChem CID 166354961) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-5,5-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-5,5-dimethylpyrrolidine-3-carboxamide
PubChem CID166354961
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-5,5-dimethylpyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)CN1
InChIInChI=1S/C21H26N2O2/c1-21(2)13-17(14-22-21)20(25)23-18(15-9-5-3-6-10-15)19(24)16-11-7-4-8-12-16/h3-12,17-19,22,24H,13-14H2,1-2H3,(H,23,25)/t17?,18-,19+/m0/s1
InChIKeyJUFMZLFHXMQZMU-JLMCIHFGSA-N
XLogP2.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea
CID 11097193
N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 78982591
N-[(1R)-1-phenylethyl]azetidine-3-carboxamide
CID 79026254
1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33424524
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119343555
2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid
CID 122107603
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide
CID 123862047
2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide
CID 171379474
methyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate
CID 58631028
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-5,5-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-5,5-dimethylpyrrolidine-3-carboxamide (CID 166354961) is N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-5,5-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-5,5-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-5,5-dimethylpyrrolidine-3-carboxamide is CC1(C)CC(C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)CN1.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-5,5-dimethylpyrrolidine-3-carboxamide?
The InChIKey is JUFMZLFHXMQZMU-JLMCIHFGSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-21(2)13-17(14-22-21)20(25)23-18(15-9-5-3-6-10-15)19(24)16-11-7-4-8-12-16/h3-12,17-19,22,24H,13-14H2,1-2H3,(H,23,25)/t17?,18-,19+/m0/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-5,5-dimethylpyrrolidine-3-carboxamide?
N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-5,5-dimethylpyrrolidine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-5,5-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 166354961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).