4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide

C16H20N2O2 — CID 30281157

IUPAC4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(-n2c(C)ccc2C)cc1
InChIInChI=1S/C16H20N2O2/c1-12-4-5-13(2)18(12)15-8-6-14(7-9-15)16(19)17-10-11-20-3/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyCFQGEDLZTKIHHF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.47
Rot. Bonds5

About 4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide

4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide (PubChem CID 30281157) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide
PubChem CID30281157
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(-n2c(C)ccc2C)cc1
InChIInChI=1S/C16H20N2O2/c1-12-4-5-13(2)18(12)15-8-6-14(7-9-15)16(19)17-10-11-20-3/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyCFQGEDLZTKIHHF-UHFFFAOYSA-N
XLogP2.47
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dimethylpyrrol-1-yl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36908727
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-(2-methoxyethyl)-4-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 42810688
4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide
CID 41360035
4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 41337865
4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 47437380
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide
CID 70934716
N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 3574227
4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 4309811
N-(2-methoxyethyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide
CID 126479051
bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone
CID 146425021

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide (CID 30281157) is 4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(-n2c(C)ccc2C)cc1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide?
The InChIKey is CFQGEDLZTKIHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-4-5-13(2)18(12)15-8-6-14(7-9-15)16(19)17-10-11-20-3/h4-9H,10-11H2,1-3H3,(H,17,19).
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide?
4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide has a molecular weight of 272.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 30281157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).