N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide

C21H22N2O3 — CID 9182918

IUPACN-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2cc(C)n(C)c2C)cc1
InChIInChI=1S/C21H22N2O3/c1-14-13-18(15(2)23(14)3)21(24)22-16-9-11-17(12-10-16)26-20-8-6-5-7-19(20)25-4/h5-13H,1-4H3,(H,22,24)
InChIKeyAROOSUZWRSAMQS-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.70
Rot. Bonds5

About N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide

N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide (PubChem CID 9182918) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide
PubChem CID9182918
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2cc(C)n(C)c2C)cc1
InChIInChI=1S/C21H22N2O3/c1-14-13-18(15(2)23(14)3)21(24)22-16-9-11-17(12-10-16)26-20-8-6-5-7-19(20)25-4/h5-13H,1-4H3,(H,22,24)
InChIKeyAROOSUZWRSAMQS-UHFFFAOYSA-N
XLogP4.70
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-2-oxoethoxy)-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 24660239
N-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 39006868
N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 27901826
N-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide
CID 27901759
N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 24675685
N-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 27054340
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
2-methoxy-N-[4-(2-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 131944896
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 27901919
N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691306
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide (CID 9182918) is N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide is COc1ccccc1Oc1ccc(NC(=O)c2cc(C)n(C)c2C)cc1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide?
The InChIKey is AROOSUZWRSAMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-13-18(15(2)23(14)3)21(24)22-16-9-11-17(12-10-16)26-20-8-6-5-7-19(20)25-4/h5-13H,1-4H3,(H,22,24).
What are the key properties of N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide?
N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 9182918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).