2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide

C22H28N2O2 — CID 57193315

IUPAC2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
SMILESCC(C)(C(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccccc1O
InChIInChI=1S/C22H28N2O2/c1-22(2,18-12-6-7-13-20(18)25)21(26)23-19(16-24-14-8-9-15-24)17-10-4-3-5-11-17/h3-7,10-13,19,25H,8-9,14-16H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyFOVBRHOZHNEPNR-LJQANCHMSA-N
MW352.48 g/mol
LogP3.62
Rot. Bonds6

About 2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide

2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 57193315) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID57193315
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
SMILESCC(C)(C(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccccc1O
InChIInChI=1S/C22H28N2O2/c1-22(2,18-12-6-7-13-20(18)25)21(26)23-19(16-24-14-8-9-15-24)17-10-4-3-5-11-17/h3-7,10-13,19,25H,8-9,14-16H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyFOVBRHOZHNEPNR-LJQANCHMSA-N
XLogP3.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide
CID 134050112
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide
CID 57090261
1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892901
1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 51727871
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 95267786
1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685345
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
CID 56648017
3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide
CID 78892036
4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 120595471
5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
CID 95595921
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclohexane-1-carboxamide
CID 66692251

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of 2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide (CID 57193315) is 2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide is CC(C)(C(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is FOVBRHOZHNEPNR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-22(2,18-12-6-7-13-20(18)25)21(26)23-19(16-24-14-8-9-15-24)17-10-4-3-5-11-17/h3-7,10-13,19,25H,8-9,14-16H2,1-2H3,(H,23,26)/t19-/m1/s1.
What are the key properties of 2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide?
2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 352.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 57193315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).