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

C18H22N2O2 — CID 2998371

IUPAC4-(2,5-dimethylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H22N2O2/c1-13-5-6-14(2)20(13)16-9-7-15(8-10-16)18(21)19-12-17-4-3-11-22-17/h5-10,17H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeyDHEPPVNJDMMDEU-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.00
Rot. Bonds4

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

4-(2,5-dimethylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2998371) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2998371
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H22N2O2/c1-13-5-6-14(2)20(13)16-9-7-15(8-10-16)18(21)19-12-17-4-3-11-22-17/h5-10,17H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeyDHEPPVNJDMMDEU-UHFFFAOYSA-N
XLogP3.00
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-Ethoxypropyl)-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[B]pyrrol-1-YL}benzamide
CID 16017990
N-(2-acetamidoethyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 2468420
N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 4795908
2-(1,2-dimethyl-1H-indol-3-yl)-2-oxo-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 16194779
(2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
CID 5337390
4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]morpholine
CID 1089297
1-[4-(2,5-Dimethylpyrrol-1-yl)benzoyl]piperidine-4-carboxamide
CID 2565671
N-(tetrahydro-2-furanylmethyl)-1H-indole-2-carboxamide
CID 2964205
N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(oxolan-2-ylmethyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3174537
2-isobutyl-9-methyl-1-oxo-N-(tetrahydrofuran-2-ylmethyl)-2,9-dihydro-1H-beta-carboline-4-carboxamide
CID 3236584
1-methyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-4,5-dihydro-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 3245449
[2-[2,5-Dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 2-benzamidoacetate
CID 4662773

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)benzamide (CID 2998371) is 4-(2,5-dimethylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)benzamide is Cc1ccc(C)n1-c1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is DHEPPVNJDMMDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-5-6-14(2)20(13)16-9-7-15(8-10-16)18(21)19-12-17-4-3-11-22-17/h5-10,17H,3-4,11-12H2,1-2H3,(H,19,21).
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
4-(2,5-dimethylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.00, 4 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-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2998371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).