2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide

C23H26N2O3 — CID 3021954

IUPAC2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)Oc1ccc(-n2c(C)ccc2C)cc1
InChIInChI=1S/C23H26N2O3/c1-5-27-22-9-7-6-8-21(22)24-23(26)18(4)28-20-14-12-19(13-15-20)25-16(2)10-11-17(25)3/h6-15,18H,5H2,1-4H3,(H,24,26)
InChIKeyJRVFZUVERFAPFX-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.90
Rot. Bonds7

About 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide

2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide (PubChem CID 3021954) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide
PubChem CID3021954
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)Oc1ccc(-n2c(C)ccc2C)cc1
InChIInChI=1S/C23H26N2O3/c1-5-27-22-9-7-6-8-21(22)24-23(26)18(4)28-20-14-12-19(13-15-20)25-16(2)10-11-17(25)3/h6-15,18H,5H2,1-4H3,(H,24,26)
InChIKeyJRVFZUVERFAPFX-UHFFFAOYSA-N
XLogP4.90
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.90
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide (CID 3021954) is 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)C(C)Oc1ccc(-n2c(C)ccc2C)cc1.
What is the InChIKey of 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is JRVFZUVERFAPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-5-27-22-9-7-6-8-21(22)24-23(26)18(4)28-20-14-12-19(13-15-20)25-16(2)10-11-17(25)3/h6-15,18H,5H2,1-4H3,(H,24,26).
What are the key properties of 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide?
2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 378.47 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 3021954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).