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

C23H26N2O3 — CID 3021953

IUPAC2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)Oc1ccccc1-n1c(C)ccc1C
InChIInChI=1S/C23H26N2O3/c1-5-27-21-12-8-6-10-19(21)24-23(26)18(4)28-22-13-9-7-11-20(22)25-16(2)14-15-17(25)3/h6-15,18H,5H2,1-4H3,(H,24,26)
InChIKeyYJPNGOIXUIGLSH-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.90
Rot. Bonds7

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

2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide (PubChem CID 3021953) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide
PubChem CID3021953
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)Oc1ccccc1-n1c(C)ccc1C
InChIInChI=1S/C23H26N2O3/c1-5-27-21-12-8-6-10-19(21)24-23(26)18(4)28-22-13-9-7-11-20(22)25-16(2)14-15-17(25)3/h6-15,18H,5H2,1-4H3,(H,24,26)
InChIKeyYJPNGOIXUIGLSH-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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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837498
(2R)-2-(3,5-dimethylphenoxy)-N-(2-ethoxyphenyl)propanamide
CID 890147
N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 134012633
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-ethoxyphenyl)propanamide
CID 8730577
(2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941253
(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7613071
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
(2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 1177379
(2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 1225337
2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 3670954
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 8956882

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide (CID 3021953) is 2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)C(C)Oc1ccccc1-n1c(C)ccc1C.
What is the InChIKey of 2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is YJPNGOIXUIGLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-5-27-21-12-8-6-10-19(21)24-23(26)18(4)28-22-13-9-7-11-20(22)25-16(2)14-15-17(25)3/h6-15,18H,5H2,1-4H3,(H,24,26).
What are the key properties of 2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide?
2-[2-(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-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 3021953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).