2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide

C20H26N2O3 — CID 111486058

IUPAC2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide
SMILESCc1ccc(-n2c(C)ccc2C)c(C(=O)NCC2(O)CCOCC2)c1
InChIInChI=1S/C20H26N2O3/c1-14-4-7-18(22-15(2)5-6-16(22)3)17(12-14)19(23)21-13-20(24)8-10-25-11-9-20/h4-7,12,24H,8-11,13H2,1-3H3,(H,21,23)
InChIKeyFJQXXJRINVNGGC-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.67
Rot. Bonds4

About 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide

2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide (PubChem CID 111486058) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide
PubChem CID111486058
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide
SMILESCc1ccc(-n2c(C)ccc2C)c(C(=O)NCC2(O)CCOCC2)c1
InChIInChI=1S/C20H26N2O3/c1-14-4-7-18(22-15(2)5-6-16(22)3)17(12-14)19(23)21-13-20(24)8-10-25-11-9-20/h4-7,12,24H,8-11,13H2,1-3H3,(H,21,23)
InChIKeyFJQXXJRINVNGGC-UHFFFAOYSA-N
XLogP2.67
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 111486355
2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide
CID 111486212
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
CID 112702691
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 65106081
N-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide
CID 79037076
N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
CID 111445481
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
4-[[(2-fluoro-4-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438527
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79037091
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide
CID 103712060
4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81133927

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide (CID 111486058) is 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide is Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCC2(O)CCOCC2)c1.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide?
The InChIKey is FJQXXJRINVNGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-4-7-18(22-15(2)5-6-16(22)3)17(12-14)19(23)21-13-20(24)8-10-25-11-9-20/h4-7,12,24H,8-11,13H2,1-3H3,(H,21,23).
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide?
2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide has a molecular weight of 342.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide is sourced from PubChem (CID 111486058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).