5-[5-(2-hydroxyethyl)-2-phenylmethoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide

C21H22N2O3 — CID 90414010

IUPAC5-[5-(2-hydroxyethyl)-2-phenylmethoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2cc(CCO)ccc2OCc2ccccc2)cc1C(N)=O
InChIInChI=1S/C21H22N2O3/c1-14-17(21(22)25)12-19(23-14)18-11-15(9-10-24)7-8-20(18)26-13-16-5-3-2-4-6-16/h2-8,11-12,23-24H,9-10,13H2,1H3,(H2,22,25)
InChIKeyMGFARNWWHAIFBE-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.20
Rot. Bonds7

About 5-[5-(2-hydroxyethyl)-2-phenylmethoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide

5-[5-(2-hydroxyethyl)-2-phenylmethoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 90414010) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-[5-(2-hydroxyethyl)-2-phenylmethoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(2-hydroxyethyl)-2-phenylmethoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID90414010
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name5-[5-(2-hydroxyethyl)-2-phenylmethoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2cc(CCO)ccc2OCc2ccccc2)cc1C(N)=O
InChIInChI=1S/C21H22N2O3/c1-14-17(21(22)25)12-19(23-14)18-11-15(9-10-24)7-8-20(18)26-13-16-5-3-2-4-6-16/h2-8,11-12,23-24H,9-10,13H2,1H3,(H2,22,25)
InChIKeyMGFARNWWHAIFBE-UHFFFAOYSA-N
XLogP3.20
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide
CID 59285855
2-(4-methyl-3-phenylmethoxyphenyl)ethanol
CID 117358003
5-(dimethylamino)-2-phenylmethoxybenzamide
CID 141273591
2-(3-methyl-4-phenylmethoxyphenyl)acetamide
CID 67539296
(3-phenyl-4-phenylmethoxyphenyl)methanol
CID 164896135
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
2-[(4-phenylphenyl)methoxy]benzamide
CID 8011325
2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 59285990
1-[3,4-bis(phenylmethoxy)phenyl]-6-hydroxyhexan-3-one
CID 157495437
2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide
CID 156634517
2-[(4-carbamothioylphenyl)methoxy]benzamide
CID 24702610

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-hydroxyethyl)-2-phenylmethoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[5-(2-hydroxyethyl)-2-phenylmethoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide (CID 90414010) is 5-[5-(2-hydroxyethyl)-2-phenylmethoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[5-(2-hydroxyethyl)-2-phenylmethoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[5-(2-hydroxyethyl)-2-phenylmethoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2cc(CCO)ccc2OCc2ccccc2)cc1C(N)=O.
What is the InChIKey of 5-[5-(2-hydroxyethyl)-2-phenylmethoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is MGFARNWWHAIFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-17(21(22)25)12-19(23-14)18-11-15(9-10-24)7-8-20(18)26-13-16-5-3-2-4-6-16/h2-8,11-12,23-24H,9-10,13H2,1H3,(H2,22,25).
What are the key properties of 5-[5-(2-hydroxyethyl)-2-phenylmethoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide?
5-[5-(2-hydroxyethyl)-2-phenylmethoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-hydroxyethyl)-2-phenylmethoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 90414010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).