4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide

C17H22N2O — CID 78777192

IUPAC4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-n2c(C)ccc2C)cc1
InChIInChI=1S/C17H22N2O/c1-5-18(6-2)17(20)15-9-11-16(12-10-15)19-13(3)7-8-14(19)4/h7-12H,5-6H2,1-4H3
InChIKeyGOJMHADNULEWJP-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.58
Rot. Bonds4

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

4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide (PubChem CID 78777192) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide
PubChem CID78777192
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-n2c(C)ccc2C)cc1
InChIInChI=1S/C17H22N2O/c1-5-18(6-2)17(20)15-9-11-16(12-10-15)19-13(3)7-8-14(19)4/h7-12H,5-6H2,1-4H3
InChIKeyGOJMHADNULEWJP-UHFFFAOYSA-N
XLogP3.58
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 40512293
N,N-diethyl-4-pyrrol-1-ylbenzamide
CID 60682055
bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone
CID 146425021
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 46434978
[4-(diethylcarbamoyl)phenyl]-trimethylazanium
CID 122214787
N-[4-(diethylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 24560612
N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 9047752
N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862170
CID 174412487
CID 174412487
N,N-diethyl-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 52587818
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide (CID 78777192) is 4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(-n2c(C)ccc2C)cc1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide?
The InChIKey is GOJMHADNULEWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-18(6-2)17(20)15-9-11-16(12-10-15)19-13(3)7-8-14(19)4/h7-12H,5-6H2,1-4H3.
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide?
4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide has a molecular weight of 270.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide is sourced from PubChem (CID 78777192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).