N-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide

C14H16N2O2 — CID 67572758

IUPACN-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide
SMILESCc1ccc(O)c(C)c1NC(=O)Cc1ccc[nH]1
InChIInChI=1S/C14H16N2O2/c1-9-5-6-12(17)10(2)14(9)16-13(18)8-11-4-3-7-15-11/h3-7,15,17H,8H2,1-2H3,(H,16,18)
InChIKeyZIMXLXLDUGQUFE-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.52
Rot. Bonds3

About N-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide

N-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide (PubChem CID 67572758) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide
PubChem CID67572758
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide
SMILESCc1ccc(O)c(C)c1NC(=O)Cc1ccc[nH]1
InChIInChI=1S/C14H16N2O2/c1-9-5-6-12(17)10(2)14(9)16-13(18)8-11-4-3-7-15-11/h3-7,15,17H,8H2,1-2H3,(H,16,18)
InChIKeyZIMXLXLDUGQUFE-UHFFFAOYSA-N
XLogP2.52
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of N-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide (CID 67572758) is N-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide is Cc1ccc(O)c(C)c1NC(=O)Cc1ccc[nH]1.
What is the InChIKey of N-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide?
The InChIKey is ZIMXLXLDUGQUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-5-6-12(17)10(2)14(9)16-13(18)8-11-4-3-7-15-11/h3-7,15,17H,8H2,1-2H3,(H,16,18).
What are the key properties of N-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide?
N-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide has a molecular weight of 244.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,6-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 67572758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).