1-(4-hydroxyphenyl)-N,N,2,5-tetramethylpyrrole-3-carboxamide

C15H18N2O2 — CID 53016703

IUPAC1-(4-hydroxyphenyl)-N,N,2,5-tetramethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C)c(C)n1-c1ccc(O)cc1
InChIInChI=1S/C15H18N2O2/c1-10-9-14(15(19)16(3)4)11(2)17(10)12-5-7-13(18)8-6-12/h5-9,18H,1-4H3
InChIKeyAEKQGZSWLBVZTD-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.50
Rot. Bonds2

About 1-(4-hydroxyphenyl)-N,N,2,5-tetramethylpyrrole-3-carboxamide

1-(4-hydroxyphenyl)-N,N,2,5-tetramethylpyrrole-3-carboxamide (PubChem CID 53016703) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-N,N,2,5-tetramethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-N,N,2,5-tetramethylpyrrole-3-carboxamide
PubChem CID53016703
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(4-hydroxyphenyl)-N,N,2,5-tetramethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C)c(C)n1-c1ccc(O)cc1
InChIInChI=1S/C15H18N2O2/c1-10-9-14(15(19)16(3)4)11(2)17(10)12-5-7-13(18)8-6-12/h5-9,18H,1-4H3
InChIKeyAEKQGZSWLBVZTD-UHFFFAOYSA-N
XLogP2.50
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-N,N,2,5-tetramethylpyrrole-3-carboxamide?
The IUPAC name of 1-(4-hydroxyphenyl)-N,N,2,5-tetramethylpyrrole-3-carboxamide (CID 53016703) is 1-(4-hydroxyphenyl)-N,N,2,5-tetramethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-hydroxyphenyl)-N,N,2,5-tetramethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(4-hydroxyphenyl)-N,N,2,5-tetramethylpyrrole-3-carboxamide is Cc1cc(C(=O)N(C)C)c(C)n1-c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-N,N,2,5-tetramethylpyrrole-3-carboxamide?
The InChIKey is AEKQGZSWLBVZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-9-14(15(19)16(3)4)11(2)17(10)12-5-7-13(18)8-6-12/h5-9,18H,1-4H3.
What are the key properties of 1-(4-hydroxyphenyl)-N,N,2,5-tetramethylpyrrole-3-carboxamide?
1-(4-hydroxyphenyl)-N,N,2,5-tetramethylpyrrole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-N,N,2,5-tetramethylpyrrole-3-carboxamide is sourced from PubChem (CID 53016703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).