2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-methyl-N-propan-2-ylacetamide

C19H26N2O — CID 78844029

IUPAC2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCc1ccc(-n2c(C)cc(CC(=O)N(C)C(C)C)c2C)cc1
InChIInChI=1S/C19H26N2O/c1-13(2)20(6)19(22)12-17-11-15(4)21(16(17)5)18-9-7-14(3)8-10-18/h7-11,13H,12H2,1-6H3
InChIKeyMJCYNGYTAKVOKL-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.81
Rot. Bonds4

About 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-methyl-N-propan-2-ylacetamide

2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 78844029) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID78844029
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCc1ccc(-n2c(C)cc(CC(=O)N(C)C(C)C)c2C)cc1
InChIInChI=1S/C19H26N2O/c1-13(2)20(6)19(22)12-17-11-15(4)21(16(17)5)18-9-7-14(3)8-10-18/h7-11,13H,12H2,1-6H3
InChIKeyMJCYNGYTAKVOKL-UHFFFAOYSA-N
XLogP3.81
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.81
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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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-methyl-N-propan-2-ylacetamide (CID 78844029) is 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-methyl-N-propan-2-ylacetamide is Cc1ccc(-n2c(C)cc(CC(=O)N(C)C(C)C)c2C)cc1.
What is the InChIKey of 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is MJCYNGYTAKVOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13(2)20(6)19(22)12-17-11-15(4)21(16(17)5)18-9-7-14(3)8-10-18/h7-11,13H,12H2,1-6H3.
What are the key properties of 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-methyl-N-propan-2-ylacetamide?
2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 298.43 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 78844029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).