N-(3,4-dimethylphenyl)-2-pyrrol-1-ylacetamide

C14H16N2O — CID 3240897

IUPACN-(3,4-dimethylphenyl)-2-pyrrol-1-ylacetamide
SMILESCc1ccc(NC(=O)Cn2cccc2)cc1C
InChIInChI=1S/C14H16N2O/c1-11-5-6-13(9-12(11)2)15-14(17)10-16-7-3-4-8-16/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyDUXLNISLXJUITQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.74
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-pyrrol-1-ylacetamide

N-(3,4-dimethylphenyl)-2-pyrrol-1-ylacetamide (PubChem CID 3240897) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-pyrrol-1-ylacetamide
PubChem CID3240897
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-(3,4-dimethylphenyl)-2-pyrrol-1-ylacetamide
SMILESCc1ccc(NC(=O)Cn2cccc2)cc1C
InChIInChI=1S/C14H16N2O/c1-11-5-6-13(9-12(11)2)15-14(17)10-16-7-3-4-8-16/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyDUXLNISLXJUITQ-UHFFFAOYSA-N
XLogP2.74
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-pyrrol-1-ylacetamide (CID 3240897) is N-(3,4-dimethylphenyl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-pyrrol-1-ylacetamide is Cc1ccc(NC(=O)Cn2cccc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-pyrrol-1-ylacetamide?
The InChIKey is DUXLNISLXJUITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-5-6-13(9-12(11)2)15-14(17)10-16-7-3-4-8-16/h3-9H,10H2,1-2H3,(H,15,17).
What are the key properties of N-(3,4-dimethylphenyl)-2-pyrrol-1-ylacetamide?
N-(3,4-dimethylphenyl)-2-pyrrol-1-ylacetamide has a molecular weight of 228.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 3240897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).