1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ylethanone

C19H24N2O3 — CID 706023

IUPAC1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ylethanone
SMILESCOc1ccc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)cc1
InChIInChI=1S/C19H24N2O3/c1-14-12-18(19(22)13-20-8-10-24-11-9-20)15(2)21(14)16-4-6-17(23-3)7-5-16/h4-7,12H,8-11,13H2,1-3H3
InChIKeyBWUSLCGBOIOOIT-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.62
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ylethanone

1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ylethanone (PubChem CID 706023) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ylethanone
PubChem CID706023
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ylethanone
SMILESCOc1ccc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)cc1
InChIInChI=1S/C19H24N2O3/c1-14-12-18(19(22)13-20-8-10-24-11-9-20)15(2)21(14)16-4-6-17(23-3)7-5-16/h4-7,12H,8-11,13H2,1-3H3
InChIKeyBWUSLCGBOIOOIT-UHFFFAOYSA-N
XLogP2.62
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ylethanone (CID 706023) is 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ylethanone is COc1ccc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ylethanone?
The InChIKey is BWUSLCGBOIOOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-12-18(19(22)13-20-8-10-24-11-9-20)15(2)21(14)16-4-6-17(23-3)7-5-16/h4-7,12H,8-11,13H2,1-3H3.
What are the key properties of 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ylethanone?
1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ylethanone has a molecular weight of 328.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 706023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).