N-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide

C15H18N2O2 — CID 54903796

IUPACN-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2ccc(O)cc2)n1C
InChIInChI=1S/C15H18N2O2/c1-11-3-8-14(17(11)2)15(19)16-10-9-12-4-6-13(18)7-5-12/h3-8,18H,9-10H2,1-2H3,(H,16,19)
InChIKeyVQYJDUNZCPDICV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.01
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 54903796) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
PubChem CID54903796
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2ccc(O)cc2)n1C
InChIInChI=1S/C15H18N2O2/c1-11-3-8-14(17(11)2)15(19)16-10-9-12-4-6-13(18)7-5-12/h3-8,18H,9-10H2,1-2H3,(H,16,19)
InChIKeyVQYJDUNZCPDICV-UHFFFAOYSA-N
XLogP2.01
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(1,5-dimethylpyrrole-2-carbonyl)amino]ethyl]benzoic acid
CID 43665791
N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 61357227
N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 116650019
N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 31115490
7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid
CID 28791167
4-bromo-N-[2-(4-hydroxyphenyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 61018298
2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61017284
1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride
CID 130653632
1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide
CID 60976637
3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide
CID 61017535
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
CID 112528913
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide (CID 54903796) is N-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide is Cc1ccc(C(=O)NCCc2ccc(O)cc2)n1C.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is VQYJDUNZCPDICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-3-8-14(17(11)2)15(19)16-10-9-12-4-6-13(18)7-5-12/h3-8,18H,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 54903796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).