N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide

C15H18N2O2 — CID 24820011

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccn2C)cc1
InChIInChI=1S/C15H18N2O2/c1-17-11-3-4-14(17)15(18)16-10-9-12-5-7-13(19-2)8-6-12/h3-8,11H,9-10H2,1-2H3,(H,16,18)
InChIKeyXXQNJOVOQYKNHY-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.01
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 24820011) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID24820011
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccn2C)cc1
InChIInChI=1S/C15H18N2O2/c1-17-11-3-4-14(17)15(18)16-10-9-12-5-7-13(19-2)8-6-12/h3-8,11H,9-10H2,1-2H3,(H,16,18)
InChIKeyXXQNJOVOQYKNHY-UHFFFAOYSA-N
XLogP2.01
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide (CID 24820011) is N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide is COc1ccc(CCNC(=O)c2cccn2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is XXQNJOVOQYKNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17-11-3-4-14(17)15(18)16-10-9-12-5-7-13(19-2)8-6-12/h3-8,11H,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 24820011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).