N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide

C20H20N2O2 — CID 121240272

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide
SMILESO=C(NCCc1ccc(O)cc1)C(c1ccccc1)n1cccc1
InChIInChI=1S/C20H20N2O2/c23-18-10-8-16(9-11-18)12-13-21-20(24)19(22-14-4-5-15-22)17-6-2-1-3-7-17/h1-11,14-15,19,23H,12-13H2,(H,21,24)
InChIKeyDGAONCOHJMUKCI-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.14
Rot. Bonds6

About N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide

N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide (PubChem CID 121240272) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide
PubChem CID121240272
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide
SMILESO=C(NCCc1ccc(O)cc1)C(c1ccccc1)n1cccc1
InChIInChI=1S/C20H20N2O2/c23-18-10-8-16(9-11-18)12-13-21-20(24)19(22-14-4-5-15-22)17-6-2-1-3-7-17/h1-11,14-15,19,23H,12-13H2,(H,21,24)
InChIKeyDGAONCOHJMUKCI-UHFFFAOYSA-N
XLogP3.14
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71828617
2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 61239080
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylbutanamide
CID 61018971
N-(2-phenylethyl)-2-pyrrol-1-ylpropanamide
CID 17086628
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpropanamide
CID 62878017
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpentanamide
CID 140983186
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 6737224
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N,N'-bis[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 91262549
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 106591189

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide (CID 121240272) is N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide is O=C(NCCc1ccc(O)cc1)C(c1ccccc1)n1cccc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide?
The InChIKey is DGAONCOHJMUKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-18-10-8-16(9-11-18)12-13-21-20(24)19(22-14-4-5-15-22)17-6-2-1-3-7-17/h1-11,14-15,19,23H,12-13H2,(H,21,24).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide has a molecular weight of 320.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 121240272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).