N-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide

C22H24N2O2 — CID 86876631

IUPACN-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
SMILESCc1ccc(C(O)CNC(=O)c2cccn2CCc2ccccc2)cc1
InChIInChI=1S/C22H24N2O2/c1-17-9-11-19(12-10-17)21(25)16-23-22(26)20-8-5-14-24(20)15-13-18-6-3-2-4-7-18/h2-12,14,21,25H,13,15-16H2,1H3,(H,23,26)
InChIKeyBIWAHMDEEIOQRI-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.50
Rot. Bonds7

About N-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide

N-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide (PubChem CID 86876631) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
PubChem CID86876631
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
SMILESCc1ccc(C(O)CNC(=O)c2cccn2CCc2ccccc2)cc1
InChIInChI=1S/C22H24N2O2/c1-17-9-11-19(12-10-17)21(25)16-23-22(26)20-8-5-14-24(20)15-13-18-6-3-2-4-7-18/h2-12,14,21,25H,13,15-16H2,1H3,(H,23,26)
InChIKeyBIWAHMDEEIOQRI-UHFFFAOYSA-N
XLogP3.50
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 110912943
N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide
CID 43391337
1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide
CID 114609452
N-(2-acetamidoethyl)-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 51104098
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272
N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 43416361
N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66176682
2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide
CID 112827264
2-[benzyl(methyl)amino]-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]acetamide
CID 94806000

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide (CID 86876631) is N-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide is Cc1ccc(C(O)CNC(=O)c2cccn2CCc2ccccc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide?
The InChIKey is BIWAHMDEEIOQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-17-9-11-19(12-10-17)21(25)16-23-22(26)20-8-5-14-24(20)15-13-18-6-3-2-4-7-18/h2-12,14,21,25H,13,15-16H2,1H3,(H,23,26).
What are the key properties of N-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide?
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 86876631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).