2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide

C19H26N2O3 — CID 111695032

IUPAC2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide
SMILESCOCC(O)CN(C)C(=O)c1cc(C)ccc1-n1c(C)ccc1C
InChIInChI=1S/C19H26N2O3/c1-13-6-9-18(21-14(2)7-8-15(21)3)17(10-13)19(23)20(4)11-16(22)12-24-5/h6-10,16,22H,11-12H2,1-5H3
InChIKeyPJPXVIRRPLFNFX-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.48
Rot. Bonds6

About 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide

2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide (PubChem CID 111695032) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide
PubChem CID111695032
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide
SMILESCOCC(O)CN(C)C(=O)c1cc(C)ccc1-n1c(C)ccc1C
InChIInChI=1S/C19H26N2O3/c1-13-6-9-18(21-14(2)7-8-15(21)3)17(10-13)19(23)20(4)11-16(22)12-24-5/h6-10,16,22H,11-12H2,1-5H3
InChIKeyPJPXVIRRPLFNFX-UHFFFAOYSA-N
XLogP2.48
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N,5-dimethyl-2-nitrobenzamide
CID 65462637
2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 62539688
N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide
CID 62334596
2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 113347205
N-(2-bromo-3-methoxypropyl)-2-hydroxy-N,5-dimethylbenzamide
CID 80670555
4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103863065
N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
CID 103769303
N-(2-bromo-3-methoxypropyl)-2-fluoro-N,5-dimethylbenzamide
CID 80671755
2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide
CID 54994939
5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994795
3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103892640
3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 54993258

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide (CID 111695032) is 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide is COCC(O)CN(C)C(=O)c1cc(C)ccc1-n1c(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide?
The InChIKey is PJPXVIRRPLFNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-6-9-18(21-14(2)7-8-15(21)3)17(10-13)19(23)20(4)11-16(22)12-24-5/h6-10,16,22H,11-12H2,1-5H3.
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide?
2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide has a molecular weight of 330.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide is sourced from PubChem (CID 111695032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).