N-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide

C21H26N2O2 — CID 111578765

IUPACN-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCCC2CC(O)c2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-15-10-11-16(2)19(13-15)22-21(25)23-12-6-9-18(23)14-20(24)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,18,20,24H,6,9,12,14H2,1-2H3,(H,22,25)
InChIKeyRVVHRKXKRHSZMG-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.42
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide

N-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide (PubChem CID 111578765) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
PubChem CID111578765
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCCC2CC(O)c2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-15-10-11-16(2)19(13-15)22-21(25)23-12-6-9-18(23)14-20(24)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,18,20,24H,6,9,12,14H2,1-2H3,(H,22,25)
InChIKeyRVVHRKXKRHSZMG-UHFFFAOYSA-N
XLogP4.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxy-2-phenylethyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 111578773
(2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide
CID 97070958
(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125118441
N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111841104
(2R)-2-[(2S)-2-hydroxy-2-phenylethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 95932321
3-amino-1-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125134386
1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 111472238
4-[[[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020978
ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11087069
N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide
CID 97240619
2-(2-hydroxy-2-phenylethyl)-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71868512
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide
CID 124880451

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide (CID 111578765) is N-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide is Cc1ccc(C)c(NC(=O)N2CCCC2CC(O)c2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide?
The InChIKey is RVVHRKXKRHSZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-10-11-16(2)19(13-15)22-21(25)23-12-6-9-18(23)14-20(24)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,18,20,24H,6,9,12,14H2,1-2H3,(H,22,25).
What are the key properties of N-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide?
N-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111578765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).