N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylacetamide

C14H16N2O — CID 6619993

IUPACN-[(4-methylphenyl)methyl]-2-pyrrol-1-ylacetamide
SMILESCc1ccc(CNC(=O)Cn2cccc2)cc1
InChIInChI=1S/C14H16N2O/c1-12-4-6-13(7-5-12)10-15-14(17)11-16-8-2-3-9-16/h2-9H,10-11H2,1H3,(H,15,17)
InChIKeyVUVAQYBZVTZGOT-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.11
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylacetamide

N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylacetamide (PubChem CID 6619993) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-pyrrol-1-ylacetamide
PubChem CID6619993
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-[(4-methylphenyl)methyl]-2-pyrrol-1-ylacetamide
SMILESCc1ccc(CNC(=O)Cn2cccc2)cc1
InChIInChI=1S/C14H16N2O/c1-12-4-6-13(7-5-12)10-15-14(17)11-16-8-2-3-9-16/h2-9H,10-11H2,1H3,(H,15,17)
InChIKeyVUVAQYBZVTZGOT-UHFFFAOYSA-N
XLogP2.11
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylacetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylacetamide (CID 6619993) is N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylacetamide is Cc1ccc(CNC(=O)Cn2cccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylacetamide?
The InChIKey is VUVAQYBZVTZGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-12-4-6-13(7-5-12)10-15-14(17)11-16-8-2-3-9-16/h2-9H,10-11H2,1H3,(H,15,17).
What are the key properties of N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylacetamide?
N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylacetamide has a molecular weight of 228.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 6619993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).